diff --git a/doc/txt/Errors_messages.txt b/doc/txt/Errors_messages.txt
deleted file mode 100644
index 33593d4d53..0000000000
--- a/doc/txt/Errors_messages.txt
+++ /dev/null
@@ -1,10894 +0,0 @@
-"Higher level section"_Errors.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-Error messages :h3
-
-This is an alphabetic list of the ERROR messages LAMMPS prints out and
-the reason why.  If the explanation here is not sufficient, the
-documentation for the offending command may help.  Error messages also
-list the source file and line number where the error was generated.
-For example, a message like this:
-
-ERROR: Illegal velocity command (velocity.cpp:78) :pre
-
-means that line #78 in the file src/velocity.cpp generated the error.
-Looking in the source code may help you figure out what went wrong.
-
-Note that error messages from "user-contributed
-packages"_Packages_user.html are not listed here.  If such an error
-occurs and is not self-explanatory, you'll need to look in the source
-code or contact the author of the package.
-
-Doc page with "WARNING messages"_Errors_warnings.html
-
-:line
-
-:dlb
-
-{1-3 bond count is inconsistent} :dt
-
-An inconsistency was detected when computing the number of 1-3
-neighbors for each atom.  This likely means something is wrong with
-the bond topologies you have defined. :dd
-
-{1-4 bond count is inconsistent} :dt
-
-An inconsistency was detected when computing the number of 1-4
-neighbors for each atom.  This likely means something is wrong with
-the bond topologies you have defined. :dd
-
-{Accelerator sharing is not currently supported on system} :dt
-
-Multiple MPI processes cannot share the accelerator on your
-system. For NVIDIA GPUs, see the nvidia-smi command to change this
-setting. :dd
-
-{All angle coeffs are not set} :dt
-
-All angle coefficients must be set in the data file or by the
-angle_coeff command before running a simulation. :dd
-
-{All atom IDs = 0 but atom_modify id = yes} :dt
-
-Self-explanatory. :dd
-
-{All atoms of a swapped type must have same charge.} :dt
-
-Self-explanatory. :dd
-
-{All atoms of a swapped type must have the same charge.} :dt
-
-Self-explanatory. :dd
-
-{All bond coeffs are not set} :dt
-
-All bond coefficients must be set in the data file or by the
-bond_coeff command before running a simulation. :dd
-
-{All dihedral coeffs are not set} :dt
-
-All dihedral coefficients must be set in the data file or by the
-dihedral_coeff command before running a simulation. :dd
-
-{All improper coeffs are not set} :dt
-
-All improper coefficients must be set in the data file or by the
-improper_coeff command before running a simulation. :dd
-
-{All masses are not set} :dt
-
-For atom styles that define masses for each atom type, all masses must
-be set in the data file or by the mass command before running a
-simulation.  They must also be set before using the velocity
-command. :dd
-
-{All mol IDs should be set for fix gcmc group atoms} :dt
-
-The molecule flag is on, yet not all molecule ids in the fix group
-have been set to non-zero positive values by the user. This is an
-error since all atoms in the fix gcmc group are eligible for deletion,
-rotation, and translation and therefore must have valid molecule ids. :dd
-
-{All pair coeffs are not set} :dt
-
-All pair coefficients must be set in the data file or by the
-pair_coeff command before running a simulation. :dd
-
-{All read_dump x,y,z fields must be specified for scaled, triclinic coords} :dt
-
-For triclinic boxes and scaled coordinates you must specify all 3 of
-the x,y,z fields, else LAMMPS cannot reconstruct the unscaled
-coordinates. :dd
-
-{All universe/uloop variables must have same # of values} :dt
-
-Self-explanatory. :dd
-
-{All variables in next command must be same style} :dt
-
-Self-explanatory. :dd
-
-{Angle atom missing in delete_bonds} :dt
-
-The delete_bonds command cannot find one or more atoms in a particular
-angle on a particular processor.  The pairwise cutoff is too short or
-the atoms are too far apart to make a valid angle. :dd
-
-{Angle atom missing in set command} :dt
-
-The set command cannot find one or more atoms in a particular angle on
-a particular processor.  The pairwise cutoff is too short or the atoms
-are too far apart to make a valid angle. :dd
-
-{Angle atoms %d %d %d missing on proc %d at step %ld} :dt
-
-One or more of 3 atoms needed to compute a particular angle are
-missing on this processor.  Typically this is because the pairwise
-cutoff is set too short or the angle has blown apart and an atom is
-too far away. :dd
-
-{Angle atoms missing on proc %d at step %ld} :dt
-
-One or more of 3 atoms needed to compute a particular angle are
-missing on this processor.  Typically this is because the pairwise
-cutoff is set too short or the angle has blown apart and an atom is
-too far away. :dd
-
-{Angle coeff for hybrid has invalid style} :dt
-
-Angle style hybrid uses another angle style as one of its
-coefficients.  The angle style used in the angle_coeff command or read
-from a restart file is not recognized. :dd
-
-{Angle coeffs are not set} :dt
-
-No angle coefficients have been assigned in the data file or via the
-angle_coeff command. :dd
-
-{Angle extent > half of periodic box length} :dt
-
-This error was detected by the neigh_modify check yes setting.  It is
-an error because the angle atoms are so far apart it is ambiguous how
-it should be defined. :dd
-
-{Angle potential must be defined for SHAKE} :dt
-
-When shaking angles, an angle_style potential must be used. :dd
-
-{Angle style hybrid cannot have hybrid as an argument} :dt
-
-Self-explanatory. :dd
-
-{Angle style hybrid cannot have none as an argument} :dt
-
-Self-explanatory. :dd
-
-{Angle style hybrid cannot use same angle style twice} :dt
-
-Self-explanatory. :dd
-
-{Angle table must range from 0 to 180 degrees} :dt
-
-Self-explanatory. :dd
-
-{Angle table parameters did not set N} :dt
-
-List of angle table parameters must include N setting. :dd
-
-{Angle_coeff command before angle_style is defined} :dt
-
-Coefficients cannot be set in the data file or via the angle_coeff
-command until an angle_style has been assigned. :dd
-
-{Angle_coeff command before simulation box is defined} :dt
-
-The angle_coeff command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{Angle_coeff command when no angles allowed} :dt
-
-The chosen atom style does not allow for angles to be defined. :dd
-
-{Angle_style command when no angles allowed} :dt
-
-The chosen atom style does not allow for angles to be defined. :dd
-
-{Angles assigned incorrectly} :dt
-
-Angles read in from the data file were not assigned correctly to
-atoms.  This means there is something invalid about the topology
-definitions. :dd
-
-{Angles defined but no angle types} :dt
-
-The data file header lists angles but no angle types. :dd
-
-{Append boundary must be shrink/minimum} :dt
-
-The boundary style of the face where atoms are added
-must be of type m (shrink/minimum). :dd
-
-{Arccos of invalid value in variable formula} :dt
-
-Argument of arccos() must be between -1 and 1. :dd
-
-{Arcsin of invalid value in variable formula} :dt
-
-Argument of arcsin() must be between -1 and 1. :dd
-
-{Assigning body parameters to non-body atom} :dt
-
-Self-explanatory. :dd
-
-{Assigning ellipsoid parameters to non-ellipsoid atom} :dt
-
-Self-explanatory. :dd
-
-{Assigning line parameters to non-line atom} :dt
-
-Self-explanatory. :dd
-
-{Assigning quat to non-body atom} :dt
-
-Self-explanatory. :dd
-
-{Assigning tri parameters to non-tri atom} :dt
-
-Self-explanatory. :dd
-
-{At least one atom of each swapped type must be present to define charges.} :dt
-
-Self-explanatory. :dd
-
-{Atom IDs must be consecutive for velocity create loop all} :dt
-
-Self-explanatory. :dd
-
-{Atom IDs must be used for molecular systems} :dt
-
-Atom IDs are used to identify and find partner atoms in bonds. :dd
-
-{Atom count changed in fix neb} :dt
-
-This is not allowed in a NEB calculation. :dd
-
-{Atom count is inconsistent, cannot write data file} :dt
-
-The sum of atoms across processors does not equal the global number
-of atoms.  Probably some atoms have been lost. :dd
-
-{Atom count is inconsistent, cannot write restart file} :dt
-
-Sum of atoms across processors does not equal initial total count.
-This is probably because you have lost some atoms. :dd
-
-{Atom in too many rigid bodies - boost MAXBODY} :dt
-
-Fix poems has a parameter MAXBODY (in fix_poems.cpp) which determines
-the maximum number of rigid bodies a single atom can belong to (i.e. a
-multibody joint).  The bodies you have defined exceed this limit. :dd
-
-{Atom sort did not operate correctly} :dt
-
-This is an internal LAMMPS error.  Please report it to the
-developers. :dd
-
-{Atom style hybrid cannot have hybrid as an argument} :dt
-
-Self-explanatory. :dd
-
-{Atom style hybrid cannot use same atom style twice} :dt
-
-Self-explanatory. :dd
-
-{Atom style template molecule must have atom types} :dt
-
-The defined molecule(s) does not specify atom types. :dd
-
-{Atom style was redefined after using fix property/atom} :dt
-
-This is not allowed. :dd
-
-{Atom type must be zero in fix gcmc mol command} :dt
-
-Self-explanatory. :dd
-
-{Atom vector in equal-style variable formula} :dt
-
-Atom vectors generate one value per atom which is not allowed
-in an equal-style variable. :dd
-
-{Atom-style variable in equal-style variable formula} :dt
-
-Atom-style variables generate one value per atom which is not allowed
-in an equal-style variable. :dd
-
-{Atom_modify id command after simulation box is defined} :dt
-
-The atom_modify id command cannot be used after a read_data,
-read_restart, or create_box command. :dd
-
-{Atom_modify map command after simulation box is defined} :dt
-
-The atom_modify map command cannot be used after a read_data,
-read_restart, or create_box command. :dd
-
-{Atom_modify sort and first options cannot be used together} :dt
-
-Self-explanatory. :dd
-
-{Atom_style command after simulation box is defined} :dt
-
-The atom_style command cannot be used after a read_data,
-read_restart, or create_box command. :dd
-
-{Atom_style line can only be used in 2d simulations} :dt
-
-Self-explanatory. :dd
-
-{Atom_style tri can only be used in 3d simulations} :dt
-
-Self-explanatory. :dd
-
-{Atomfile variable could not read values} :dt
-
-Check the file assigned to the variable. :dd
-
-{Atomfile variable in equal-style variable formula} :dt
-
-Self-explanatory. :dd
-
-{Atomfile-style variable in equal-style variable formula} :dt
-
-Self-explanatory. :dd
-
-{Attempt to pop empty stack in fix box/relax} :dt
-
-Internal LAMMPS error.  Please report it to the developers. :dd
-
-{Attempt to push beyond stack limit in fix box/relax} :dt
-
-Internal LAMMPS error.  Please report it to the developers. :dd
-
-{Attempting to rescale a 0.0 temperature} :dt
-
-Cannot rescale a temperature that is already 0.0. :dd
-
-{Bad FENE bond} :dt
-
-Two atoms in a FENE bond have become so far apart that the bond cannot
-be computed. :dd
-
-{Bad TIP4P angle type for PPPM/TIP4P} :dt
-
-Specified angle type is not valid. :dd
-
-{Bad TIP4P angle type for PPPMDisp/TIP4P} :dt
-
-Specified angle type is not valid. :dd
-
-{Bad TIP4P bond type for PPPM/TIP4P} :dt
-
-Specified bond type is not valid. :dd
-
-{Bad TIP4P bond type for PPPMDisp/TIP4P} :dt
-
-Specified bond type is not valid. :dd
-
-{Bad fix ID in fix append/atoms command} :dt
-
-The value of the fix_id for keyword spatial must start with 'f_'. :dd
-
-{Bad grid of processors} :dt
-
-The 3d grid of processors defined by the processors command does not
-match the number of processors LAMMPS is being run on. :dd
-
-{Bad kspace_modify kmax/ewald parameter} :dt
-
-Kspace_modify values for the kmax/ewald keyword must be integers > 0 :dd
-
-{Bad kspace_modify slab parameter} :dt
-
-Kspace_modify value for the slab/volume keyword must be >= 2.0. :dd
-
-{Bad matrix inversion in mldivide3} :dt
-
-This error should not occur unless the matrix is badly formed. :dd
-
-{Bad principal moments} :dt
-
-Fix rigid did not compute the principal moments of inertia of a rigid
-group of atoms correctly. :dd
-
-{Bad quadratic solve for particle/line collision} :dt
-
-This is an internal error.  It should normally not occur. :dd
-
-{Bad quadratic solve for particle/tri collision} :dt
-
-This is an internal error.  It should normally not occur. :dd
-
-{Bad real space Coulombic cutoff in fix tune/kspace} :dt
-
-Fix tune/kspace tried to find the optimal real space Coulombic cutoff using
-the Newton-Rhaphson method, but found a non-positive or NaN cutoff :dd
-
-{Balance command before simulation box is defined} :dt
-
-The balance command cannot be used before a read_data, read_restart,
-or create_box command. :dd
-
-{Balance produced bad splits} :dt
-
-This should not occur.  It means two or more cutting plane locations
-are on top of each other or out of order.  Report the problem to the
-developers. :dd
-
-{Balance rcb cannot be used with comm_style brick} :dt
-
-Comm_style tiled must be used instead. :dd
-
-{Balance shift string is invalid} :dt
-
-The string can only contain the characters "x", "y", or "z". :dd
-
-{Bias compute does not calculate a velocity bias} :dt
-
-The specified compute must compute a bias for temperature. :dd
-
-{Bias compute does not calculate temperature} :dt
-
-The specified compute must compute temperature. :dd
-
-{Bias compute group does not match compute group} :dt
-
-The specified compute must operate on the same group as the parent
-compute. :dd
-
-{Big particle in fix srd cannot be point particle} :dt
-
-Big particles must be extended spheroids or ellipsoids. :dd
-
-{Bigint setting in lmptype.h is invalid} :dt
-
-Size of bigint is less than size of tagint. :dd
-
-{Bigint setting in lmptype.h is not compatible} :dt
-
-Format of bigint stored in restart file is not consistent with LAMMPS
-version you are running.  See the settings in src/lmptype.h :dd
-
-{Bitmapped lookup tables require int/float be same size} :dt
-
-Cannot use pair tables on this machine, because of word sizes.  Use
-the pair_modify command with table 0 instead. :dd
-
-{Bitmapped table in file does not match requested table} :dt
-
-Setting for bitmapped table in pair_coeff command must match table
-in file exactly. :dd
-
-{Bitmapped table is incorrect length in table file} :dt
-
-Number of table entries is not a correct power of 2. :dd
-
-{Bond and angle potentials must be defined for TIP4P} :dt
-
-Cannot use TIP4P pair potential unless bond and angle potentials
-are defined. :dd
-
-{Bond atom missing in box size check} :dt
-
-The 2nd atoms needed to compute a particular bond is missing on this
-processor.  Typically this is because the pairwise cutoff is set too
-short or the bond has blown apart and an atom is too far away. :dd
-
-{Bond atom missing in delete_bonds} :dt
-
-The delete_bonds command cannot find one or more atoms in a particular
-bond on a particular processor.  The pairwise cutoff is too short or
-the atoms are too far apart to make a valid bond. :dd
-
-{Bond atom missing in image check} :dt
-
-The 2nd atom in a particular bond is missing on this processor.
-Typically this is because the pairwise cutoff is set too short or the
-bond has blown apart and an atom is too far away. :dd
-
-{Bond atom missing in set command} :dt
-
-The set command cannot find one or more atoms in a particular bond on
-a particular processor.  The pairwise cutoff is too short or the atoms
-are too far apart to make a valid bond. :dd
-
-{Bond atoms %d %d missing on proc %d at step %ld} :dt
-
-The 2nd atom needed to compute a particular bond is missing on this
-processor.  Typically this is because the pairwise cutoff is set too
-short or the bond has blown apart and an atom is too far away. :dd
-
-{Bond atoms missing on proc %d at step %ld} :dt
-
-The 2nd atom needed to compute a particular bond is missing on this
-processor.  Typically this is because the pairwise cutoff is set too
-short or the bond has blown apart and an atom is too far away. :dd
-
-{Bond coeff for hybrid has invalid style} :dt
-
-Bond style hybrid uses another bond style as one of its coefficients.
-The bond style used in the bond_coeff command or read from a restart
-file is not recognized. :dd
-
-{Bond coeffs are not set} :dt
-
-No bond coefficients have been assigned in the data file or via the
-bond_coeff command. :dd
-
-{Bond extent > half of periodic box length} :dt
-
-This error was detected by the neigh_modify check yes setting.  It is
-an error because the bond atoms are so far apart it is ambiguous how
-it should be defined. :dd
-
-{Bond potential must be defined for SHAKE} :dt
-
-Cannot use fix shake unless bond potential is defined. :dd
-
-{Bond style hybrid cannot have hybrid as an argument} :dt
-
-Self-explanatory. :dd
-
-{Bond style hybrid cannot have none as an argument} :dt
-
-Self-explanatory. :dd
-
-{Bond style hybrid cannot use same bond style twice} :dt
-
-Self-explanatory. :dd
-
-{Bond style quartic cannot be used with 3,4-body interactions} :dt
-
-No angle, dihedral, or improper styles can be defined when using
-bond style quartic. :dd
-
-{Bond style quartic cannot be used with atom style template} :dt
-
-This bond style can change the bond topology which is not
-allowed with this atom style. :dd
-
-{Bond style quartic requires special_bonds = 1,1,1} :dt
-
-This is a restriction of the current bond quartic implementation. :dd
-
-{Bond table parameters did not set N} :dt
-
-List of bond table parameters must include N setting. :dd
-
-{Bond table values are not increasing} :dt
-
-The values in the tabulated file must be monotonically increasing. :dd
-
-{BondAngle coeff for hybrid angle has invalid format} :dt
-
-No "ba" field should appear in data file entry. :dd
-
-{BondBond coeff for hybrid angle has invalid format} :dt
-
-No "bb" field should appear in data file entry. :dd
-
-{Bond_coeff command before bond_style is defined} :dt
-
-Coefficients cannot be set in the data file or via the bond_coeff
-command until an bond_style has been assigned. :dd
-
-{Bond_coeff command before simulation box is defined} :dt
-
-The bond_coeff command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{Bond_coeff command when no bonds allowed} :dt
-
-The chosen atom style does not allow for bonds to be defined. :dd
-
-{Bond_style command when no bonds allowed} :dt
-
-The chosen atom style does not allow for bonds to be defined. :dd
-
-{Bonds assigned incorrectly} :dt
-
-Bonds read in from the data file were not assigned correctly to atoms.
-This means there is something invalid about the topology definitions. :dd
-
-{Bonds defined but no bond types} :dt
-
-The data file header lists bonds but no bond types. :dd
-
-{Bond/react: Cannot use fix bond/react with non-molecular systems} :dt
-
-Only systems with bonds that can be changed can be used. Atom_style
-template does not qualify. :dd
-
-{Bond/react: Rmax cutoff is longer than pairwise cutoff} :dt
-
-This is not allowed because bond creation is done using the pairwise
-neighbor list. :dd
-
-{Bond/react: Molecule template ID for fix bond/react does not exist} :dt
-
-A valid molecule template must have been created with the molecule
-command. :dd
-
-{Bond/react: Reaction templates must contain the same number of atoms} :dt
-
-There should be a one-to-one correspondence between atoms in the
-pre-reacted and post-reacted templates, as specified by the map file. :dd
-
-{Bond/react: Unknown section in map file} :dt
-
-Please ensure reaction map files are properly formatted. :dd
-
-{Bond/react: Atom affected by reaction too close to template edge} :dt
-
-This means an atom which changes type or connectivity during the
-reaction is too close to an 'edge' atom defined in the superimpose
-file. This could cause incorrect assignment of bonds, angle, etc.
-Generally, this means you must include more atoms in your templates,
-such that there are at least two atoms between each atom involved in
-the reaction and an edge atom. :dd
-
-{Bond/react: Fix bond/react needs ghost atoms from farther away} :dt
-
-This is because a processor needs to superimpose the entire unreacted
-molecule template onto simulation atoms it knows about. The
-comm_modify cutoff command can be used to extend the communication
-range. :dd
-
-{Bond/react: A deleted atom cannot remain bonded to an atom that is not deleted} :dt
-
-Self-explanatory. :dd
-
-{Bond/react special bond generation overflow} :dt
-
-The number of special bonds per-atom created by a reaction exceeds the
-system setting. See the read_data or create_box command for how to
-specify this value. :dd
-
-{Bond/react topology/atom exceed system topology/atom} :dt
-
-The number of bonds, angles etc per-atom created by a reaction exceeds
-the system setting. See the read_data or create_box command for how to
-specify this value. :dd
-
-{Both restart files must use % or neither} :dt
-
-Self-explanatory. :dd
-
-{Both restart files must use MPI-IO or neither} :dt
-
-Self-explanatory. :dd
-
-{Both sides of boundary must be periodic} :dt
-
-Cannot specify a boundary as periodic only on the lo or hi side.  Must
-be periodic on both sides. :dd
-
-{Boundary command after simulation box is defined} :dt
-
-The boundary command cannot be used after a read_data, read_restart,
-or create_box command. :dd
-
-{Box bounds are invalid} :dt
-
-The box boundaries specified in the read_data file are invalid.  The
-lo value must be less than the hi value for all 3 dimensions. :dd
-
-{Box command after simulation box is defined} :dt
-
-The box command cannot be used after a read_data, read_restart, or
-create_box command. :dd
-
-{CPU neighbor lists must be used for ellipsoid/sphere mix.} :dt
-
-When using Gay-Berne or RE-squared pair styles with both ellipsoidal and
-spherical particles, the neighbor list must be built on the CPU :dd
-
-{Can not specify Pxy/Pxz/Pyz in fix box/relax with non-triclinic box} :dt
-
-Only triclinic boxes can be used with off-diagonal pressure components.
-See the region prism command for details. :dd
-
-{Can not specify Pxy/Pxz/Pyz in fix nvt/npt/nph with non-triclinic box} :dt
-
-Only triclinic boxes can be used with off-diagonal pressure components.
-See the region prism command for details. :dd
-
-{Can only use -plog with multiple partitions} :dt
-
-Self-explanatory.  See doc page discussion of command-line switches. :dd
-
-{Can only use -pscreen with multiple partitions} :dt
-
-Self-explanatory.  See doc page discussion of command-line switches. :dd
-
-{Can only use Kokkos supported regions with Kokkos package} :dt
-
-Self-explanatory. :dd
-
-{Can only use NEB with 1-processor replicas} :dt
-
-This is current restriction for NEB as implemented in LAMMPS. :dd
-
-{Can only use TAD with 1-processor replicas for NEB} :dt
-
-This is current restriction for NEB as implemented in LAMMPS. :dd
-
-{Cannot (yet) do analytic differentiation with pppm/gpu} :dt
-
-This is a current restriction of this command. :dd
-
-{Cannot (yet) request ghost atoms with Kokkos half neighbor list} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot (yet) use 'electron' units with dipoles} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot (yet) use Ewald with triclinic box and slab correction} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot (yet) use K-space slab correction with compute group/group for triclinic systems} :dt
-
-This option is not yet supported. :dd
-
-{Cannot (yet) use MSM with 2d simulation} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot (yet) use PPPM with triclinic box and TIP4P} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot (yet) use PPPM with triclinic box and kspace_modify diff ad} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot (yet) use PPPM with triclinic box and slab correction} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot (yet) use kspace slab correction with long-range dipoles and non-neutral systems or per-atom energy} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot (yet) use kspace_modify diff ad with compute group/group} :dt
-
-This option is not yet supported. :dd
-
-{Cannot (yet) use kspace_style pppm/stagger with triclinic systems} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot (yet) use molecular templates with Kokkos} :dt
-
-Self-explanatory. :dd
-
-{Cannot (yet) use respa with Kokkos} :dt
-
-Self-explanatory. :dd
-
-{Cannot (yet) use rigid bodies with fix deform and Kokkos} :dt
-
-Self-explanatory. :dd
-
-{Cannot (yet) use rigid bodies with fix nh and Kokkos} :dt
-
-Self-explanatory. :dd
-
-{Cannot (yet) use single precision with MSM (remove -DFFT_SINGLE from Makefile and re-compile)} :dt
-
-Single precision cannot be used with MSM. :dd
-
-{Cannot add atoms to fix move variable} :dt
-
-Atoms can not be added afterwards to this fix option. :dd
-
-{Cannot append atoms to a triclinic box} :dt
-
-The simulation box must be defined with edges aligned with the
-Cartesian axes. :dd
-
-{Cannot balance in z dimension for 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot change box ortho/triclinic with certain fixes defined} :dt
-
-This is because those fixes store the shape of the box.  You need to
-use unfix to discard the fix, change the box, then redefine a new
-fix. :dd
-
-{Cannot change box ortho/triclinic with dumps defined} :dt
-
-This is because some dumps store the shape of the box.  You need to
-use undump to discard the dump, change the box, then redefine a new
-dump. :dd
-
-{Cannot change box tilt factors for orthogonal box} :dt
-
-Cannot use tilt factors unless the simulation box is non-orthogonal. :dd
-
-{Cannot change box to orthogonal when tilt is non-zero} :dt
-
-Self-explanatory. :dd
-
-{Cannot change box z boundary to non-periodic for a 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot change dump_modify every for dump dcd} :dt
-
-The frequency of writing dump dcd snapshots cannot be changed. :dd
-
-{Cannot change dump_modify every for dump xtc} :dt
-
-The frequency of writing dump xtc snapshots cannot be changed. :dd
-
-{Cannot change timestep once fix srd is setup} :dt
-
-This is because various SRD properties depend on the timestep
-size. :dd
-
-{Cannot change timestep with fix pour} :dt
-
-This is because fix pour pre-computes the time delay for particles to
-fall out of the insertion volume due to gravity. :dd
-
-{Cannot change to comm_style brick from tiled layout} :dt
-
-Self-explanatory. :dd
-
-{Cannot change_box after reading restart file with per-atom info} :dt
-
-This is because the restart file info cannot be migrated with the
-atoms.  You can get around this by performing a 0-timestep run which
-will assign the restart file info to actual atoms. :dd
-
-{Cannot change_box in xz or yz for 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot change_box in z dimension for 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot clear group all} :dt
-
-This operation is not allowed. :dd
-
-{Cannot close restart file - MPI error: %s} :dt
-
-This error was generated by MPI when reading/writing an MPI-IO restart
-file. :dd
-
-{Cannot compute initial g_ewald_disp} :dt
-
-LAMMPS failed to compute an initial guess for the PPPM_disp g_ewald_6
-factor that partitions the computation between real space and k-space
-for Dispersion interactions. :dd
-
-{Cannot create an atom map unless atoms have IDs} :dt
-
-The simulation requires a mapping from global atom IDs to local atoms,
-but the atoms that have been defined have no IDs. :dd
-
-{Cannot create atoms with undefined lattice} :dt
-
-Must use the lattice command before using the create_atoms
-command. :dd
-
-{Cannot create/grow a vector/array of pointers for %s} :dt
-
-LAMMPS code is making an illegal call to the templated memory
-allocaters, to create a vector or array of pointers. :dd
-
-{Cannot create_atoms after reading restart file with per-atom info} :dt
-
-The per-atom info was stored to be used when by a fix that you may
-re-define.  If you add atoms before re-defining the fix, then there
-will not be a correct amount of per-atom info. :dd
-
-{Cannot create_box after simulation box is defined} :dt
-
-A simulation box can only be defined once. :dd
-
-{Cannot currently use pair reax with pair hybrid} :dt
-
-This is not yet supported. :dd
-
-{Cannot currently use pppm/gpu with fix balance.} :dt
-
-Self-explanatory. :dd
-
-{Cannot delete group all} :dt
-
-Self-explanatory. :dd
-
-{Cannot delete group currently used by a compute} :dt
-
-Self-explanatory. :dd
-
-{Cannot delete group currently used by a dump} :dt
-
-Self-explanatory. :dd
-
-{Cannot delete group currently used by a fix} :dt
-
-Self-explanatory. :dd
-
-{Cannot delete group currently used by atom_modify first} :dt
-
-Self-explanatory. :dd
-
-{Cannot delete_atoms bond yes for non-molecular systems} :dt
-
-Self-explanatory. :dd
-
-{Cannot displace_atoms after reading restart file with per-atom info} :dt
-
-This is because the restart file info cannot be migrated with the
-atoms.  You can get around this by performing a 0-timestep run which
-will assign the restart file info to actual atoms. :dd
-
-{Cannot do GCMC on atoms in atom_modify first group} :dt
-
-This is a restriction due to the way atoms are organized in a list to
-enable the atom_modify first command. :dd
-
-{Cannot do atom/swap on atoms in atom_modify first group} :dt
-
-This is a restriction due to the way atoms are organized in a list to
-enable the atom_modify first command. :dd
-
-{Cannot dump sort on atom IDs with no atom IDs defined} :dt
-
-Self-explanatory. :dd
-
-{Cannot dump sort when multiple dump files are written} :dt
-
-In this mode, each processor dumps its atoms to a file, so
-no sorting is allowed. :dd
-
-{Cannot embed Python when also extending Python with LAMMPS} :dt
-
-When running LAMMPS via Python through the LAMMPS library interface
-you cannot also user the input script python command. :dd
-
-{Cannot evaporate atoms in atom_modify first group} :dt
-
-This is a restriction due to the way atoms are organized in
-a list to enable the atom_modify first command. :dd
-
-{Cannot find create_bonds group ID} :dt
-
-Self-explanatory. :dd
-
-{Cannot find delete_bonds group ID} :dt
-
-Group ID used in the delete_bonds command does not exist. :dd
-
-{Cannot find specified group ID for core particles} :dt
-
-Self-explanatory. :dd
-
-{Cannot find specified group ID for shell particles} :dt
-
-Self-explanatory. :dd
-
-{Cannot have both pair_modify shift and tail set to yes} :dt
-
-These 2 options are contradictory. :dd
-
-{Cannot intersect groups using a dynamic group} :dt
-
-This operation is not allowed. :dd
-
-{Cannot mix molecular and molecule template atom styles} :dt
-
-Self-explanatory. :dd
-
-{Cannot open -reorder file} :dt
-
-Self-explanatory. :dd
-
-{Cannot open ADP potential file %s} :dt
-
-The specified ADP potential file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open AIREBO potential file %s} :dt
-
-The specified AIREBO potential file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open BOP potential file %s} :dt
-
-The specified BOP potential file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open COMB potential file %s} :dt
-
-The specified COMB potential file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open COMB3 lib.comb3 file} :dt
-
-The COMB3 library file cannot be opened.  Check that the path and name
-are correct. :dd
-
-{Cannot open COMB3 potential file %s} :dt
-
-The specified COMB3 potential file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open EAM potential file %s} :dt
-
-The specified EAM potential file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open EIM potential file %s} :dt
-
-The specified EIM potential file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open LCBOP potential file %s} :dt
-
-The specified LCBOP potential file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open MEAM potential file %s} :dt
-
-The specified MEAM potential file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open SNAP coefficient file %s} :dt
-
-The specified SNAP coefficient file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open SNAP parameter file %s} :dt
-
-The specified SNAP parameter file cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open Stillinger-Weber potential file %s} :dt
-
-The specified SW potential file cannot be opened.  Check that the path
-and name are correct. :dd
-
-{Cannot open Tersoff potential file %s} :dt
-
-The specified potential file cannot be opened.  Check that the path
-and name are correct. :dd
-
-{Cannot open Vashishta potential file %s} :dt
-
-The specified Vashishta potential file cannot be opened.  Check that the path
-and name are correct. :dd
-
-{Cannot open balance output file} :dt
-
-Self-explanatory. :dd
-
-{Cannot open coul/streitz potential file %s} :dt
-
-The specified coul/streitz potential file cannot be opened.  Check
-that the path and name are correct. :dd
-
-{Cannot open custom file} :dt
-
-Self-explanatory. :dd
-
-{Cannot open data file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open dir to search for restart file} :dt
-
-Using a "*" in the name of the restart file will open the current
-directory to search for matching file names. :dd
-
-{Cannot open dump file} :dt
-
-Self-explanatory. :dd
-
-{Cannot open dump file %s} :dt
-
-The output file for the dump command cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Cannot open file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. If the file is a compressed file, also check that the gzip
-executable can be found and run. :dd
-
-{Cannot open file variable file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open fix ave/chunk file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open fix ave/correlate file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open fix ave/histo file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open fix ave/time file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open fix balance output file} :dt
-
-Self-explanatory. :dd
-
-{Cannot open fix poems file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open fix print file %s} :dt
-
-The output file generated by the fix print command cannot be opened :dd
-
-{Cannot open fix qeq parameter file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open fix qeq/comb file %s} :dt
-
-The output file for the fix qeq/combs command cannot be opened.
-Check that the path and name are correct. :dd
-
-{Cannot open fix reax/bonds file %s} :dt
-
-The output file for the fix reax/bonds command cannot be opened.
-Check that the path and name are correct. :dd
-
-{Cannot open fix rigid infile %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open fix rigid restart file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open fix rigid/small infile %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open fix tmd file %s} :dt
-
-The output file for the fix tmd command cannot be opened.  Check that
-the path and name are correct. :dd
-
-{Cannot open fix ttm file %s} :dt
-
-The output file for the fix ttm command cannot be opened.  Check that
-the path and name are correct. :dd
-
-{Cannot open gzipped file} :dt
-
-LAMMPS was compiled without support for reading and writing gzipped
-files through a pipeline to the gzip program with -DLAMMPS_GZIP. :dd
-
-{Cannot open input script %s} :dt
-
-Self-explanatory. :dd
-
-{Cannot open log.cite file} :dt
-
-This file is created when you use some LAMMPS features, to indicate
-what paper you should cite on behalf of those who implemented
-the feature.  Check that you have write privileges into the directory
-you are running in. :dd
-
-{Cannot open log.lammps for writing} :dt
-
-The default LAMMPS log file cannot be opened.  Check that the
-directory you are running in allows for files to be created. :dd
-
-{Cannot open logfile} :dt
-
-The LAMMPS log file named in a command-line argument cannot be opened.
-Check that the path and name are correct. :dd
-
-{Cannot open logfile %s} :dt
-
-The LAMMPS log file specified in the input script cannot be opened.
-Check that the path and name are correct. :dd
-
-{Cannot open molecule file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct. :dd
-
-{Cannot open nb3b/harmonic potential file %s} :dt
-
-The specified potential file cannot be opened.  Check that the path
-and name are correct. :dd
-
-{Cannot open pair_write file} :dt
-
-The specified output file for pair energies and forces cannot be
-opened.  Check that the path and name are correct. :dd
-
-{Cannot open polymorphic potential file %s} :dt
-
-The specified polymorphic potential file cannot be opened.  Check that
-the path and name are correct. :dd
-
-{Cannot open print file %s} :dt
-
-Self-explanatory. :dd
-
-{Cannot open processors output file} :dt
-
-Self-explanatory. :dd
-
-{Cannot open restart file %s} :dt
-
-Self-explanatory. :dd
-
-{Cannot open restart file for reading - MPI error: %s} :dt
-
-This error was generated by MPI when reading/writing an MPI-IO restart
-file. :dd
-
-{Cannot open restart file for writing - MPI error: %s} :dt
-
-This error was generated by MPI when reading/writing an MPI-IO restart
-file. :dd
-
-{Cannot open screen file} :dt
-
-The screen file specified as a command-line argument cannot be
-opened.  Check that the directory you are running in allows for files
-to be created. :dd
-
-{Cannot open temporary file for world counter.} :dt
-
-Self-explanatory. :dd
-
-{Cannot open universe log file} :dt
-
-For a multi-partition run, the master log file cannot be opened.
-Check that the directory you are running in allows for files to be
-created. :dd
-
-{Cannot open universe screen file} :dt
-
-For a multi-partition run, the master screen file cannot be opened.
-Check that the directory you are running in allows for files to be
-created. :dd
-
-{Cannot read from restart file - MPI error: %s} :dt
-
-This error was generated by MPI when reading/writing an MPI-IO restart
-file. :dd
-
-{Cannot read_data without add keyword after simulation box is defined} :dt
-
-Self-explanatory. :dd
-
-{Cannot read_restart after simulation box is defined} :dt
-
-The read_restart command cannot be used after a read_data,
-read_restart, or create_box command. :dd
-
-{Cannot redefine variable as a different style} :dt
-
-An equal-style variable can be re-defined but only if it was
-originally an equal-style variable. :dd
-
-{Cannot replicate 2d simulation in z dimension} :dt
-
-The replicate command cannot replicate a 2d simulation in the z
-dimension. :dd
-
-{Cannot replicate with fixes that store atom quantities} :dt
-
-Either fixes are defined that create and store atom-based vectors or a
-restart file was read which included atom-based vectors for fixes.
-The replicate command cannot duplicate that information for new atoms.
-You should use the replicate command before fixes are applied to the
-system. :dd
-
-{Cannot reset timestep with a dynamic region defined} :dt
-
-Dynamic regions (see the region command) have a time dependence.
-Thus you cannot change the timestep when one or more of these
-are defined. :dd
-
-{Cannot reset timestep with a time-dependent fix defined} :dt
-
-You cannot reset the timestep when a fix that keeps track of elapsed
-time is in place. :dd
-
-{Cannot run 2d simulation with non-periodic Z dimension} :dt
-
-Use the boundary command to make the z dimension periodic in order to
-run a 2d simulation. :dd
-
-{Cannot set bond topology types for atom style template} :dt
-
-The bond, angle, etc types cannot be changed for this atom style since
-they are static settings in the molecule template files. :dd
-
-{Cannot set both respa pair and inner/middle/outer} :dt
-
-In the rRESPA integrator, you must compute pairwise potentials either
-all together (pair), or in pieces (inner/middle/outer).  You can't do
-both. :dd
-
-{Cannot set cutoff/multi before simulation box is defined} :dt
-
-Self-explanatory. :dd
-
-{Cannot set dpd/theta for this atom style} :dt
-
-Self-explanatory. :dd
-
-{Cannot set dump_modify flush for dump xtc} :dt
-
-Self-explanatory. :dd
-
-{Cannot set mass for this atom style} :dt
-
-This atom style does not support mass settings for each atom type.
-Instead they are defined on a per-atom basis in the data file. :dd
-
-{Cannot set meso/cv for this atom style} :dt
-
-Self-explanatory. :dd
-
-{Cannot set meso/e for this atom style} :dt
-
-Self-explanatory. :dd
-
-{Cannot set meso/rho for this atom style} :dt
-
-Self-explanatory. :dd
-
-{Cannot set non-zero image flag for non-periodic dimension} :dt
-
-Self-explanatory. :dd
-
-{Cannot set non-zero z velocity for 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot set quaternion for atom that has none} :dt
-
-Self-explanatory. :dd
-
-{Cannot set quaternion with xy components for 2d system} :dt
-
-Self-explanatory. :dd
-
-{Cannot set respa hybrid and any of pair/inner/middle/outer} :dt
-
-In the rRESPA integrator, you must compute pairwise potentials either
-all together (pair), with different cutoff regions (inner/middle/outer),
-or per hybrid sub-style (hybrid).  You cannot mix those. :dd
-
-{Cannot set respa middle without inner/outer} :dt
-
-In the rRESPA integrator, you must define both a inner and outer
-setting in order to use a middle setting. :dd
-
-{Cannot set restart file size - MPI error: %s} :dt
-
-This error was generated by MPI when reading/writing an MPI-IO restart
-file. :dd
-
-{Cannot set smd/contact/radius for this atom style} :dt
-
-Self-explanatory. :dd
-
-{Cannot set smd/mass/density for this atom style} :dt
-
-Self-explanatory. :dd
-
-{Cannot set temperature for fix rigid/nph} :dt
-
-The temp keyword cannot be specified. :dd
-
-{Cannot set theta for atom that is not a line} :dt
-
-Self-explanatory. :dd
-
-{Cannot set this attribute for this atom style} :dt
-
-The attribute being set does not exist for the defined atom style. :dd
-
-{Cannot set variable z velocity for 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot skew triclinic box in z for 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot subtract groups using a dynamic group} :dt
-
-This operation is not allowed. :dd
-
-{Cannot union groups using a dynamic group} :dt
-
-This operation is not allowed. :dd
-
-{Cannot use -kokkos on without KOKKOS installed} :dt
-
-Self-explanatory. :dd
-
-{Cannot use -reorder after -partition} :dt
-
-Self-explanatory.  See doc page discussion of command-line switches. :dd
-
-{Cannot use Ewald with 2d simulation} :dt
-
-The kspace style ewald cannot be used in 2d simulations.  You can use
-2d Ewald in a 3d simulation; see the kspace_modify command. :dd
-
-{Cannot use Ewald/disp solver on system with no charge, dipole, or LJ particles} :dt
-
-No atoms in system have a non-zero charge or dipole, or are LJ
-particles.  Change charges/dipoles or change options of the kspace
-solver/pair style. :dd
-
-{Cannot use EwaldDisp with 2d simulation} :dt
-
-This is a current restriction of this command. :dd
-
-{Cannot use Kokkos pair style with rRESPA inner/middle} :dt
-
-Self-explanatory. :dd
-
-{Cannot use NEB unless atom map exists} :dt
-
-Use the atom_modify command to create an atom map. :dd
-
-{Cannot use NEB with a single replica} :dt
-
-Self-explanatory. :dd
-
-{Cannot use NEB with atom_modify sort enabled} :dt
-
-This is current restriction for NEB implemented in LAMMPS. :dd
-
-{Cannot use PPPM with 2d simulation} :dt
-
-The kspace style pppm cannot be used in 2d simulations.  You can use
-2d PPPM in a 3d simulation; see the kspace_modify command. :dd
-
-{Cannot use PPPMDisp with 2d simulation} :dt
-
-The kspace style pppm/disp cannot be used in 2d simulations.  You can
-use 2d pppm/disp in a 3d simulation; see the kspace_modify command. :dd
-
-{Cannot use PRD with a changing box} :dt
-
-The current box dimensions are not copied between replicas :dd
-
-{Cannot use PRD with a time-dependent fix defined} :dt
-
-PRD alters the timestep in ways that will mess up these fixes. :dd
-
-{Cannot use PRD with a time-dependent region defined} :dt
-
-PRD alters the timestep in ways that will mess up these regions. :dd
-
-{Cannot use PRD with atom_modify sort enabled} :dt
-
-This is a current restriction of PRD.  You must turn off sorting,
-which is enabled by default, via the atom_modify command. :dd
-
-{Cannot use PRD with multi-processor replicas unless atom map exists} :dt
-
-Use the atom_modify command to create an atom map. :dd
-
-{Cannot use TAD unless atom map exists for NEB} :dt
-
-See atom_modify map command to set this. :dd
-
-{Cannot use TAD with a single replica for NEB} :dt
-
-NEB requires multiple replicas. :dd
-
-{Cannot use TAD with atom_modify sort enabled for NEB} :dt
-
-This is a current restriction of NEB. :dd
-
-{Cannot use a damped dynamics min style with fix box/relax} :dt
-
-This is a current restriction in LAMMPS.  Use another minimizer
-style. :dd
-
-{Cannot use a damped dynamics min style with per-atom DOF} :dt
-
-This is a current restriction in LAMMPS.  Use another minimizer
-style. :dd
-
-{Cannot use append/atoms in periodic dimension} :dt
-
-The boundary style of the face where atoms are added can not be of
-type p (periodic). :dd
-
-{Cannot use atomfile-style variable unless atom map exists} :dt
-
-Self-explanatory.  See the atom_modify command to create a map. :dd
-
-{Cannot use both com and bias with compute temp/chunk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with buck/coul/cut/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with buck/coul/long/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with buck/kk} :dt
-
-That style is not supported by Kokkos. :dd
-
-{Cannot use chosen neighbor list style with coul/cut/kk} :dt
-
-That style is not supported by Kokkos. :dd
-
-{Cannot use chosen neighbor list style with coul/debye/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with coul/dsf/kk} :dt
-
-That style is not supported by Kokkos. :dd
-
-{Cannot use chosen neighbor list style with coul/wolf/kk} :dt
-
-That style is not supported by Kokkos. :dd
-
-{Cannot use chosen neighbor list style with lj/charmm/coul/charmm/implicit/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with lj/charmm/coul/charmm/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with lj/charmm/coul/long/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with lj/class2/coul/cut/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with lj/class2/coul/long/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with lj/class2/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with lj/cut/coul/cut/kk} :dt
-
-That style is not supported by Kokkos. :dd
-
-{Cannot use chosen neighbor list style with lj/cut/coul/debye/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with lj/cut/coul/long/kk} :dt
-
-That style is not supported by Kokkos. :dd
-
-{Cannot use chosen neighbor list style with lj/cut/kk} :dt
-
-That style is not supported by Kokkos. :dd
-
-{Cannot use chosen neighbor list style with lj/expand/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with lj/gromacs/coul/gromacs/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with lj/gromacs/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with lj/sdk/kk} :dt
-
-That style is not supported by Kokkos. :dd
-
-{Cannot use chosen neighbor list style with pair eam/kk} :dt
-
-That style is not supported by Kokkos. :dd
-
-{Cannot use chosen neighbor list style with pair eam/kk/alloy} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with pair eam/kk/fs} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with pair sw/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with tersoff/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use chosen neighbor list style with tersoff/zbl/kk} :dt
-
-Self-explanatory. :dd
-
-{Cannot use compute chunk/atom bin z for 2d model} :dt
-
-Self-explanatory. :dd
-
-{Cannot use compute cluster/atom unless atoms have IDs} :dt
-
-Atom IDs are used to identify clusters. :dd
-
-{Cannot use create_atoms rotate unless single style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use create_bonds unless atoms have IDs} :dt
-
-This command requires a mapping from global atom IDs to local atoms,
-but the atoms that have been defined have no IDs. :dd
-
-{Cannot use create_bonds with non-molecular system} :dt
-
-Self-explanatory. :dd
-
-{Cannot use cwiggle in variable formula between runs} :dt
-
-This is a function of elapsed time. :dd
-
-{Cannot use delete_atoms bond yes with atom_style template} :dt
-
-This is because the bonds for that atom style are hardwired in the
-molecule template. :dd
-
-{Cannot use delete_atoms unless atoms have IDs} :dt
-
-Your atoms do not have IDs, so the delete_atoms command cannot be
-used. :dd
-
-{Cannot use delete_bonds with non-molecular system} :dt
-
-Your choice of atom style does not have bonds. :dd
-
-{Cannot use dump_modify fileper without % in dump file name} :dt
-
-Self-explanatory. :dd
-
-{Cannot use dump_modify nfile without % in dump file name} :dt
-
-Self-explanatory. :dd
-
-{Cannot use dynamic group with fix adapt atom} :dt
-
-This is not yet supported. :dd
-
-{Cannot use fix TMD unless atom map exists} :dt
-
-Using this fix requires the ability to lookup an atom index, which is
-provided by an atom map.  An atom map does not exist (by default) for
-non-molecular problems.  Using the atom_modify map command will force
-an atom map to be created. :dd
-
-{Cannot use fix bond/break with non-molecular systems} :dt
-
-Only systems with bonds that can be changed can be used.  Atom_style
-template does not qualify. :dd
-
-{Cannot use fix bond/create with non-molecular systems} :dt
-
-Only systems with bonds that can be changed can be used.  Atom_style
-template does not qualify. :dd
-
-{Cannot use fix bond/swap with non-molecular systems} :dt
-
-Only systems with bonds that can be changed can be used.  Atom_style
-template does not qualify. :dd
-
-{Cannot use fix box/relax on a 2nd non-periodic dimension} :dt
-
-When specifying an off-diagonal pressure component, the 2nd of the two
-dimensions must be periodic.  E.g. if the xy component is specified,
-then the y dimension must be periodic. :dd
-
-{Cannot use fix box/relax on a non-periodic dimension} :dt
-
-When specifying a diagonal pressure component, the dimension must be
-periodic. :dd
-
-{Cannot use fix box/relax with both relaxation and scaling on a tilt factor} :dt
-
-When specifying scaling on a tilt factor component, that component can not
-also be controlled by the barostat. E.g. if scalexy yes is specified and
-also keyword tri or xy, this is wrong. :dd
-
-{Cannot use fix box/relax with tilt factor scaling on a 2nd non-periodic dimension} :dt
-
-When specifying scaling on a tilt factor component, the 2nd of the two
-dimensions must be periodic.  E.g. if the xy component is specified,
-then the y dimension must be periodic. :dd
-
-{Cannot use fix deform on a shrink-wrapped boundary} :dt
-
-The x, y, z options cannot be applied to shrink-wrapped
-dimensions. :dd
-
-{Cannot use fix deform tilt on a shrink-wrapped 2nd dim} :dt
-
-This is because the shrink-wrapping will change the value
-of the strain implied by the tilt factor. :dd
-
-{Cannot use fix deform trate on a box with zero tilt} :dt
-
-The trate style alters the current strain. :dd
-
-{Cannot use fix deposit rigid and not molecule} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix deposit rigid and shake} :dt
-
-These two attributes are conflicting. :dd
-
-{Cannot use fix deposit shake and not molecule} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix enforce2d with 3d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix gcmc in a 2d simulation} :dt
-
-Fix gcmc is set up to run in 3d only. No 2d simulations with fix gcmc
-are allowed. :dd
-
-{Cannot use fix gcmc shake and not molecule} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix msst without per-type mass defined} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix npt and fix deform on same component of stress tensor} :dt
-
-This would be changing the same box dimension twice. :dd
-
-{Cannot use fix nvt/npt/nph on a 2nd non-periodic dimension} :dt
-
-When specifying an off-diagonal pressure component, the 2nd of the two
-dimensions must be periodic.  E.g. if the xy component is specified,
-then the y dimension must be periodic. :dd
-
-{Cannot use fix nvt/npt/nph on a non-periodic dimension} :dt
-
-When specifying a diagonal pressure component, the dimension must be
-periodic. :dd
-
-{Cannot use fix nvt/npt/nph with both xy dynamics and xy scaling} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix nvt/npt/nph with both xz dynamics and xz scaling} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix nvt/npt/nph with both yz dynamics and yz scaling} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix nvt/npt/nph with xy scaling when y is non-periodic dimension} :dt
-
-The 2nd dimension in the barostatted tilt factor must be periodic. :dd
-
-{Cannot use fix nvt/npt/nph with xz scaling when z is non-periodic dimension} :dt
-
-The 2nd dimension in the barostatted tilt factor must be periodic. :dd
-
-{Cannot use fix nvt/npt/nph with yz scaling when z is non-periodic dimension} :dt
-
-The 2nd dimension in the barostatted tilt factor must be periodic. :dd
-
-{Cannot use fix pour rigid and not molecule} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix pour rigid and shake} :dt
-
-These two attributes are conflicting. :dd
-
-{Cannot use fix pour shake and not molecule} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix pour with triclinic box} :dt
-
-This option is not yet supported. :dd
-
-{Cannot use fix press/berendsen and fix deform on same component of stress tensor} :dt
-
-These commands both change the box size/shape, so you cannot use both
-together. :dd
-
-{Cannot use fix press/berendsen on a non-periodic dimension} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix press/berendsen with triclinic box} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix reax/bonds without pair_style reax} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix rigid npt/nph and fix deform on same component of stress tensor} :dt
-
-This would be changing the same box dimension twice. :dd
-
-{Cannot use fix rigid npt/nph on a non-periodic dimension} :dt
-
-When specifying a diagonal pressure component, the dimension must be
-periodic. :dd
-
-{Cannot use fix rigid/small npt/nph on a non-periodic dimension} :dt
-
-When specifying a diagonal pressure component, the dimension must be
-periodic. :dd
-
-{Cannot use fix shake with non-molecular system} :dt
-
-Your choice of atom style does not have bonds. :dd
-
-{Cannot use fix ttm with 2d simulation} :dt
-
-This is a current restriction of this fix due to the grid it creates. :dd
-
-{Cannot use fix ttm with triclinic box} :dt
-
-This is a current restriction of this fix due to the grid it creates. :dd
-
-{Cannot use fix tune/kspace without a kspace style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix tune/kspace without a pair style} :dt
-
-This fix (tune/kspace) can only be used when a pair style has been specified. :dd
-
-{Cannot use fix wall in periodic dimension} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix wall zlo/zhi for a 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix wall/reflect in periodic dimension} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix wall/reflect zlo/zhi for a 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix wall/srd in periodic dimension} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix wall/srd more than once} :dt
-
-Nor is their a need to since multiple walls can be specified
-in one command. :dd
-
-{Cannot use fix wall/srd without fix srd} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix wall/srd zlo/zhi for a 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix_deposit unless atoms have IDs} :dt
-
-Self-explanatory. :dd
-
-{Cannot use fix_pour unless atoms have IDs} :dt
-
-Self-explanatory. :dd
-
-{Cannot use include command within an if command} :dt
-
-Self-explanatory. :dd
-
-{Cannot use lines with fix srd unless overlap is set} :dt
-
-This is because line segments are connected to each other. :dd
-
-{Cannot use multiple fix wall commands with pair brownian} :dt
-
-Self-explanatory. :dd
-
-{Cannot use multiple fix wall commands with pair lubricate} :dt
-
-Self-explanatory. :dd
-
-{Cannot use multiple fix wall commands with pair lubricate/poly} :dt
-
-Self-explanatory. :dd
-
-{Cannot use multiple fix wall commands with pair lubricateU} :dt
-
-Self-explanatory. :dd
-
-{Cannot use neigh_modify exclude with GPU neighbor builds} :dt
-
-This is a current limitation of the GPU implementation
-in LAMMPS. :dd
-
-{Cannot use neighbor bins - box size << cutoff} :dt
-
-Too many neighbor bins will be created.  This typically happens when
-the simulation box is very small in some dimension, compared to the
-neighbor cutoff.  Use the "nsq" style instead of "bin" style. :dd
-
-{Cannot use newton pair with beck/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with born/coul/long/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with born/coul/wolf/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with born/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with buck/coul/cut/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with buck/coul/long/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with buck/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with colloid/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with coul/cut/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with coul/debye/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with coul/dsf/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with coul/long/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with dipole/cut/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with dipole/sf/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with dpd/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with dpd/tstat/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with eam/alloy/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with eam/fs/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with eam/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with gauss/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with gayberne/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/charmm/coul/long/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/class2/coul/long/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/class2/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/cubic/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/cut/coul/cut/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/cut/coul/debye/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/cut/coul/dsf/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/cut/coul/long/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/cut/coul/msm/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/cut/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/expand/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/gromacs/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/sdk/coul/long/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj/sdk/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with lj96/cut/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with mie/cut/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with morse/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with resquared/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with soft/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with table/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with yukawa/colloid/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with yukawa/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use newton pair with zbl/gpu pair style} :dt
-
-Self-explanatory. :dd
-
-{Cannot use non-zero forces in an energy minimization} :dt
-
-Fix setforce cannot be used in this manner.  Use fix addforce
-instead. :dd
-
-{Cannot use non-periodic boundares with fix ttm} :dt
-
-This fix requires a fully periodic simulation box. :dd
-
-{Cannot use non-periodic boundaries with Ewald} :dt
-
-For kspace style ewald, all 3 dimensions must have periodic boundaries
-unless you use the kspace_modify command to define a 2d slab with a
-non-periodic z dimension. :dd
-
-{Cannot use non-periodic boundaries with EwaldDisp} :dt
-
-For kspace style ewald/disp, all 3 dimensions must have periodic
-boundaries unless you use the kspace_modify command to define a 2d
-slab with a non-periodic z dimension. :dd
-
-{Cannot use non-periodic boundaries with PPPM} :dt
-
-For kspace style pppm, all 3 dimensions must have periodic boundaries
-unless you use the kspace_modify command to define a 2d slab with a
-non-periodic z dimension. :dd
-
-{Cannot use non-periodic boundaries with PPPMDisp} :dt
-
-For kspace style pppm/disp, all 3 dimensions must have periodic
-boundaries unless you use the kspace_modify command to define a 2d
-slab with a non-periodic z dimension. :dd
-
-{Cannot use order greater than 8 with pppm/gpu.} :dt
-
-Self-explanatory. :dd
-
-{Cannot use package gpu neigh yes with triclinic box} :dt
-
-This is a current restriction in LAMMPS. :dd
-
-{Cannot use pair tail corrections with 2d simulations} :dt
-
-The correction factors are only currently defined for 3d systems. :dd
-
-{Cannot use processors part command without using partitions} :dt
-
-See the command-line -partition switch. :dd
-
-{Cannot use ramp in variable formula between runs} :dt
-
-This is because the ramp() function is time dependent. :dd
-
-{Cannot use read_data add before simulation box is defined} :dt
-
-Self-explanatory. :dd
-
-{Cannot use read_data extra with add flag} :dt
-
-Self-explanatory. :dd
-
-{Cannot use read_data offset without add flag} :dt
-
-Self-explanatory. :dd
-
-{Cannot use read_data shift without add flag} :dt
-
-Self-explanatory. :dd
-
-{Cannot use region INF or EDGE when box does not exist} :dt
-
-Regions that extend to the box boundaries can only be used after the
-create_box command has been used. :dd
-
-{Cannot use set atom with no atom IDs defined} :dt
-
-Atom IDs are not defined, so they cannot be used to identify an atom. :dd
-
-{Cannot use set mol with no molecule IDs defined} :dt
-
-Self-explanatory. :dd
-
-{Cannot use swiggle in variable formula between runs} :dt
-
-This is a function of elapsed time. :dd
-
-{Cannot use tris with fix srd unless overlap is set} :dt
-
-This is because triangles are connected to each other. :dd
-
-{Cannot use variable energy with constant efield in fix efield} :dt
-
-LAMMPS computes the energy itself when the E-field is constant. :dd
-
-{Cannot use variable energy with constant force in fix addforce} :dt
-
-This is because for constant force, LAMMPS can compute the change
-in energy directly. :dd
-
-{Cannot use variable every setting for dump dcd} :dt
-
-The format of DCD dump files requires snapshots be output
-at a constant frequency. :dd
-
-{Cannot use variable every setting for dump xtc} :dt
-
-The format of this file requires snapshots at regular intervals. :dd
-
-{Cannot use vdisplace in variable formula between runs} :dt
-
-This is a function of elapsed time. :dd
-
-{Cannot use velocity bias command without temp keyword} :dt
-
-Self-explanatory. :dd
-
-{Cannot use velocity create loop all unless atoms have IDs} :dt
-
-Atoms in the simulation to do not have IDs, so this style
-of velocity creation cannot be performed. :dd
-
-{Cannot use wall in periodic dimension} :dt
-
-Self-explanatory. :dd
-
-{Cannot use write_restart fileper without % in restart file name} :dt
-
-Self-explanatory. :dd
-
-{Cannot use write_restart nfile without % in restart file name} :dt
-
-Self-explanatory. :dd
-
-{Cannot wiggle and shear fix wall/gran} :dt
-
-Cannot specify both options at the same time. :dd
-
-{Cannot write to restart file - MPI error: %s} :dt
-
-This error was generated by MPI when reading/writing an MPI-IO restart
-file. :dd
-
-{Cannot yet use KSpace solver with grid with comm style tiled} :dt
-
-This is current restriction in LAMMPS. :dd
-
-{Cannot yet use comm_style tiled with multi-mode comm} :dt
-
-Self-explanatory. :dd
-
-{Cannot yet use comm_style tiled with triclinic box} :dt
-
-Self-explanatory. :dd
-
-{Cannot yet use compute tally with Kokkos} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot yet use fix bond/break with this improper style} :dt
-
-This is a current restriction in LAMMPS. :dd
-
-{Cannot yet use fix bond/create with this improper style} :dt
-
-This is a current restriction in LAMMPS. :dd
-
-{Cannot yet use minimize with Kokkos} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot yet use pair hybrid with Kokkos} :dt
-
-This feature is not yet supported. :dd
-
-{Cannot zero Langevin force of 0 atoms} :dt
-
-The group has zero atoms, so you cannot request its force
-be zeroed. :dd
-
-{Cannot zero gld force for zero atoms} :dt
-
-There are no atoms currently in the group. :dd
-
-{Cannot zero momentum of no atoms} :dt
-
-Self-explanatory. :dd
-
-{Change_box command before simulation box is defined} :dt
-
-Self-explanatory. :dd
-
-{Change_box volume used incorrectly} :dt
-
-The "dim volume" option must be used immediately following one or two
-settings for "dim1 ..." (and optionally "dim2 ...") and must be for a
-different dimension, i.e. dim != dim1 and dim != dim2. :dd
-
-{Chunk/atom compute does not exist for compute angmom/chunk} :dt
-
-Self-explanatory. :dd
-
-{Chunk/atom compute does not exist for compute com/chunk} :dt
-
-Self-explanatory. :dd
-
-{Chunk/atom compute does not exist for compute gyration/chunk} :dt
-
-Self-explanatory. :dd
-
-{Chunk/atom compute does not exist for compute inertia/chunk} :dt
-
-Self-explanatory. :dd
-
-{Chunk/atom compute does not exist for compute msd/chunk} :dt
-
-Self-explanatory. :dd
-
-{Chunk/atom compute does not exist for compute omega/chunk} :dt
-
-Self-explanatory. :dd
-
-{Chunk/atom compute does not exist for compute property/chunk} :dt
-
-Self-explanatory. :dd
-
-{Chunk/atom compute does not exist for compute temp/chunk} :dt
-
-Self-explanatory. :dd
-
-{Chunk/atom compute does not exist for compute torque/chunk} :dt
-
-Self-explanatory. :dd
-
-{Chunk/atom compute does not exist for compute vcm/chunk} :dt
-
-Self-explanatory. :dd
-
-{Chunk/atom compute does not exist for fix ave/chunk} :dt
-
-Self-explanatory. :dd
-
-{Comm tiled invalid index in box drop brick} :dt
-
-Internal error check in comm_style tiled which should not occur.
-Contact the developers. :dd
-
-{Comm tiled mis-match in box drop brick} :dt
-
-Internal error check in comm_style tiled which should not occur.
-Contact the developers. :dd
-
-{Comm_modify group != atom_modify first group} :dt
-
-Self-explanatory. :dd
-
-{Communication cutoff for comm_style tiled cannot exceed periodic box length} :dt
-
-Self-explanatory. :dd
-
-{Communication cutoff too small for SNAP micro load balancing} :dt
-
-This can happen if you change the neighbor skin after your pair_style
-command or if your box dimensions grow during a run. You can set the
-cutoff explicitly via the comm_modify cutoff command. :dd
-
-{Compute %s does not allow use of dynamic group} :dt
-
-Dynamic groups have not yet been enabled for this compute. :dd
-
-{Compute ID for compute chunk /atom does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ID for compute chunk/atom does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute gyration ID does not exist for compute gyration/shape} :dt
-
-Self-explanatory. Provide a valid compute ID. :dd
-
-{Compute gyration/shape compute ID does not point to a gyration compute} :dt
-
-Self-explanatory. Provide and ID of a compute gyration command. :dd
-
-{Compute ID for compute reduce does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ID for compute slice does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ID for fix ave/atom does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ID for fix ave/chunk does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ID for fix ave/correlate does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ID for fix ave/histo does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ID for fix ave/time does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ID for fix store/state does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ID for fix vector does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ID must be alphanumeric or underscore characters} :dt
-
-Self-explanatory. :dd
-
-{Compute angle/local used when angles are not allowed} :dt
-
-The atom style does not support angles. :dd
-
-{Compute angmom/chunk does not use chunk/atom compute} :dt
-
-The style of the specified compute is not chunk/atom. :dd
-
-{Compute body/local requires atom style body} :dt
-
-Self-explanatory. :dd
-
-{Compute bond/local used when bonds are not allowed} :dt
-
-The atom style does not support bonds. :dd
-
-{Compute centro/atom requires a pair style be defined} :dt
-
-This is because the computation of the centro-symmetry values
-uses a pairwise neighbor list. :dd
-
-{Compute chunk/atom bin/cylinder radius is too large for periodic box} :dt
-
-Radius cannot be bigger than 1/2 of a non-axis  periodic dimension. :dd
-
-{Compute chunk/atom bin/sphere radius is too large for periodic box} :dt
-
-Radius cannot be bigger than 1/2 of any periodic dimension. :dd
-
-{Compute chunk/atom compute array is accessed out-of-range} :dt
-
-The index for the array is out of bounds. :dd
-
-{Compute chunk/atom compute does not calculate a per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom compute does not calculate a per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom compute does not calculate per-atom values} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom cylinder axis must be z for 2d} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom fix array is accessed out-of-range} :dt
-
-the index for the array is out of bounds. :dd
-
-{Compute chunk/atom fix does not calculate a per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom fix does not calculate a per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom fix does not calculate per-atom values} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom for triclinic boxes requires units reduced} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom ids once but nchunk is not once} :dt
-
-You cannot assign chunks IDs to atom permanently if the number of
-chunks may change. :dd
-
-{Compute chunk/atom molecule for non-molecular system} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom sphere z origin must be 0.0 for 2d} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom stores no IDs for compute property/chunk} :dt
-
-It will only store IDs if its compress option is enabled. :dd
-
-{Compute chunk/atom stores no coord1 for compute property/chunk} :dt
-
-Only certain binning options for compute chunk/atom store coordinates. :dd
-
-{Compute chunk/atom stores no coord2 for compute property/chunk} :dt
-
-Only certain binning options for compute chunk/atom store coordinates. :dd
-
-{Compute chunk/atom stores no coord3 for compute property/chunk} :dt
-
-Only certain binning options for compute chunk/atom store coordinates. :dd
-
-{Compute chunk/atom variable is not atom-style variable} :dt
-
-Self-explanatory. :dd
-
-{Compute chunk/atom without bins cannot use discard mixed} :dt
-
-That discard option only applies to the binning styles. :dd
-
-{Compute cluster/atom cutoff is longer than pairwise cutoff} :dt
-
-Cannot identify clusters beyond cutoff. :dd
-
-{Compute cluster/atom requires a pair style be defined} :dt
-
-This is so that the pair style defines a cutoff distance which
-is used to find clusters. :dd
-
-{Compute cna/atom cutoff is longer than pairwise cutoff} :dt
-
-Self-explanatory. :dd
-
-{Compute cna/atom requires a pair style be defined} :dt
-
-Self-explanatory. :dd
-
-{Compute com/chunk does not use chunk/atom compute} :dt
-
-The style of the specified compute is not chunk/atom. :dd
-
-{Compute contact/atom requires a pair style be defined} :dt
-
-Self-explanatory. :dd
-
-{Compute contact/atom requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Compute coord/atom cutoff is longer than pairwise cutoff} :dt
-
-Cannot compute coordination at distances longer than the pair cutoff,
-since those atoms are not in the neighbor list. :dd
-
-{Compute coord/atom requires a pair style be defined} :dt
-
-Self-explanatory. :dd
-
-{Compute damage/atom requires peridynamic potential} :dt
-
-Damage is a Peridynamic-specific metric.  It requires you
-to be running a Peridynamics simulation. :dd
-
-{Compute dihedral/local used when dihedrals are not allowed} :dt
-
-The atom style does not support dihedrals. :dd
-
-{Compute dilatation/atom cannot be used with this pair style} :dt
-
-Self-explanatory. :dd
-
-{Compute dilatation/atom requires Peridynamic pair style} :dt
-
-Self-explanatory. :dd
-
-{Compute does not allow an extra compute or fix to be reset} :dt
-
-This is an internal LAMMPS error.  Please report it to the
-developers. :dd
-
-{Compute erotate/asphere requires atom style ellipsoid or line or tri} :dt
-
-Self-explanatory. :dd
-
-{Compute erotate/asphere requires extended particles} :dt
-
-This compute cannot be used with point particles. :dd
-
-{Compute erotate/rigid with non-rigid fix-ID} :dt
-
-Self-explanatory. :dd
-
-{Compute erotate/sphere requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Compute erotate/sphere/atom requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Compute event/displace has invalid fix event assigned} :dt
-
-This is an internal LAMMPS error.  Please report it to the
-developers. :dd
-
-{Compute group/group group ID does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute gyration/chunk does not use chunk/atom compute} :dt
-
-The style of the specified compute is not chunk/atom. :dd
-
-{Compute heat/flux compute ID does not compute ke/atom} :dt
-
-Self-explanatory. :dd
-
-{Compute heat/flux compute ID does not compute pe/atom} :dt
-
-Self-explanatory. :dd
-
-{Compute heat/flux compute ID does not compute stress/atom} :dt
-
-Self-explanatory. :dd
-
-{Compute hexorder/atom cutoff is longer than pairwise cutoff} :dt
-
-Cannot compute order parameter beyond cutoff. :dd
-
-{Compute hexorder/atom requires a pair style be defined} :dt
-
-Self-explanatory. :dd
-
-{Compute improper/local used when impropers are not allowed} :dt
-
-The atom style does not support impropers. :dd
-
-{Compute inertia/chunk does not use chunk/atom compute} :dt
-
-The style of the specified compute is not chunk/atom. :dd
-
-{Compute ke/rigid with non-rigid fix-ID} :dt
-
-Self-explanatory. :dd
-
-{Compute msd/chunk does not use chunk/atom compute} :dt
-
-The style of the specified compute is not chunk/atom. :dd
-
-{Compute msd/chunk nchunk is not static} :dt
-
-This is required because the MSD cannot be computed consistently if
-the number of chunks is changing.  Compute chunk/atom allows setting
-nchunk to be static. :dd
-
-{Compute nve/asphere requires atom style ellipsoid} :dt
-
-Self-explanatory. :dd
-
-{Compute nvt/nph/npt asphere requires atom style ellipsoid} :dt
-
-Self-explanatory. :dd
-
-{Compute nvt/nph/npt body requires atom style body} :dt
-
-Self-explanatory. :dd
-
-{Compute omega/chunk does not use chunk/atom compute} :dt
-
-The style of the specified compute is not chunk/atom. :dd
-
-{Compute orientorder/atom cutoff is longer than pairwise cutoff} :dt
-
-Cannot compute order parameter beyond cutoff. :dd
-
-{Compute orientorder/atom requires a pair style be defined} :dt
-
-Self-explanatory. :dd
-
-{Compute pair must use group all} :dt
-
-Pair styles accumulate energy on all atoms. :dd
-
-{Compute pe must use group all} :dt
-
-Energies computed by potentials (pair, bond, etc) are computed on all
-atoms. :dd
-
-{Compute plasticity/atom cannot be used with this pair style} :dt
-
-Self-explanatory. :dd
-
-{Compute plasticity/atom requires Peridynamic pair style} :dt
-
-Self-explanatory. :dd
-
-{Compute pressure must use group all} :dt
-
-Virial contributions computed by potentials (pair, bond, etc) are
-computed on all atoms. :dd
-
-{Compute pressure requires temperature ID to include kinetic energy} :dt
-
-The keflag cannot be used unless a temperature compute is provided. :dd
-
-{Compute pressure temperature ID does not compute temperature} :dt
-
-The compute ID assigned to a pressure computation must compute
-temperature. :dd
-
-{Compute property/atom floating point vector does not exist} :dt
-
-The command is accessing a vector added by the fix property/atom
-command, that does not exist. :dd
-
-{Compute property/atom for atom property that isn't allocated} :dt
-
-Self-explanatory. :dd
-
-{Compute property/atom integer vector does not exist} :dt
-
-The command is accessing a vector added by the fix property/atom
-command, that does not exist. :dd
-
-{Compute property/chunk does not use chunk/atom compute} :dt
-
-The style of the specified compute is not chunk/atom. :dd
-
-{Compute property/local cannot use these inputs together} :dt
-
-Only inputs that generate the same number of datums can be used
-together.  E.g. bond and angle quantities cannot be mixed. :dd
-
-{Compute property/local does not (yet) work with atom_style template} :dt
-
-Self-explanatory. :dd
-
-{Compute property/local for property that isn't allocated} :dt
-
-Self-explanatory. :dd
-
-{Compute rdf requires a pair style be defined} :dt
-
-Self-explanatory. :dd
-
-{Compute reduce compute array is accessed out-of-range} :dt
-
-An index for the array is out of bounds. :dd
-
-{Compute reduce compute calculates global values} :dt
-
-A compute that calculates peratom or local values is required. :dd
-
-{Compute reduce compute does not calculate a local array} :dt
-
-Self-explanatory. :dd
-
-{Compute reduce compute does not calculate a local vector} :dt
-
-Self-explanatory. :dd
-
-{Compute reduce compute does not calculate a per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Compute reduce compute does not calculate a per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Compute reduce fix array is accessed out-of-range} :dt
-
-An index for the array is out of bounds. :dd
-
-{Compute reduce fix calculates global values} :dt
-
-A fix that calculates peratom or local values is required. :dd
-
-{Compute reduce fix does not calculate a local array} :dt
-
-Self-explanatory. :dd
-
-{Compute reduce fix does not calculate a local vector} :dt
-
-Self-explanatory. :dd
-
-{Compute reduce fix does not calculate a per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Compute reduce fix does not calculate a per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Compute reduce replace requires min or max mode} :dt
-
-Self-explanatory. :dd
-
-{Compute reduce variable is not atom-style variable} :dt
-
-Self-explanatory. :dd
-
-{Compute slice compute array is accessed out-of-range} :dt
-
-An index for the array is out of bounds. :dd
-
-{Compute slice compute does not calculate a global array} :dt
-
-Self-explanatory. :dd
-
-{Compute slice compute does not calculate a global vector} :dt
-
-Self-explanatory. :dd
-
-{Compute slice compute does not calculate global vector or array} :dt
-
-Self-explanatory. :dd
-
-{Compute slice compute vector is accessed out-of-range} :dt
-
-The index for the vector is out of bounds. :dd
-
-{Compute slice fix array is accessed out-of-range} :dt
-
-An index for the array is out of bounds. :dd
-
-{Compute slice fix does not calculate a global array} :dt
-
-Self-explanatory. :dd
-
-{Compute slice fix does not calculate a global vector} :dt
-
-Self-explanatory. :dd
-
-{Compute slice fix does not calculate global vector or array} :dt
-
-Self-explanatory. :dd
-
-{Compute slice fix vector is accessed out-of-range} :dt
-
-The index for the vector is out of bounds. :dd
-
-{Compute sna/atom cutoff is longer than pairwise cutoff} :dt
-
-Self-explanatory. :dd
-
-{Compute sna/atom requires a pair style be defined} :dt
-
-Self-explanatory. :dd
-
-{Compute snad/atom cutoff is longer than pairwise cutoff} :dt
-
-Self-explanatory. :dd
-
-{Compute snad/atom requires a pair style be defined} :dt
-
-Self-explanatory. :dd
-
-{Compute snav/atom cutoff is longer than pairwise cutoff} :dt
-
-Self-explanatory. :dd
-
-{Compute snav/atom requires a pair style be defined} :dt
-
-Self-explanatory. :dd
-
-{Compute stress/atom temperature ID does not compute temperature} :dt
-
-The specified compute must compute temperature. :dd
-
-{Compute temp/asphere requires atom style ellipsoid} :dt
-
-Self-explanatory. :dd
-
-{Compute temp/asphere requires extended particles} :dt
-
-This compute cannot be used with point particles. :dd
-
-{Compute temp/body requires atom style body} :dt
-
-Self-explanatory. :dd
-
-{Compute temp/body requires bodies} :dt
-
-This compute can only be applied to body particles. :dd
-
-{Compute temp/chunk does not use chunk/atom compute} :dt
-
-The style of the specified compute is not chunk/atom. :dd
-
-{Compute temp/cs requires ghost atoms store velocity} :dt
-
-Use the comm_modify vel yes command to enable this. :dd
-
-{Compute temp/cs used when bonds are not allowed} :dt
-
-This compute only works on pairs of bonded particles. :dd
-
-{Compute temp/partial cannot use vz for 2d systemx} :dt
-
-Self-explanatory. :dd
-
-{Compute temp/profile cannot bin z for 2d systems} :dt
-
-Self-explanatory. :dd
-
-{Compute temp/profile cannot use vz for 2d systemx} :dt
-
-Self-explanatory. :dd
-
-{Compute temp/sphere requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Compute ti kspace style does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ti pair style does not exist} :dt
-
-Self-explanatory. :dd
-
-{Compute ti tail when pair style does not compute tail corrections} :dt
-
-Self-explanatory. :dd
-
-{Compute torque/chunk does not use chunk/atom compute} :dt
-
-The style of the specified compute is not chunk/atom. :dd
-
-{Compute used in dump between runs is not current} :dt
-
-The compute was not invoked on the current timestep, therefore it
-cannot be used in a dump between runs. :dd
-
-{Compute used in variable between runs is not current} :dt
-
-Computes cannot be invoked by a variable in between runs.  Thus they
-must have been evaluated on the last timestep of the previous run in
-order for their value(s) to be accessed.  See the doc page for the
-variable command for more info. :dd
-
-{Compute used in variable thermo keyword between runs is not current} :dt
-
-Some thermo keywords rely on a compute to calculate their value(s).
-Computes cannot be invoked by a variable in between runs.  Thus they
-must have been evaluated on the last timestep of the previous run in
-order for their value(s) to be accessed.  See the doc page for the
-variable command for more info. :dd
-
-{Compute vcm/chunk does not use chunk/atom compute} :dt
-
-The style of the specified compute is not chunk/atom. :dd
-
-{Computed temperature for fix temp/berendsen cannot be 0.0} :dt
-
-Self-explanatory. :dd
-
-{Computed temperature for fix temp/rescale cannot be 0.0} :dt
-
-Cannot rescale the temperature to a new value if the current
-temperature is 0.0. :dd
-
-{Core/shell partner atom not found} :dt
-
-Could not find one of the atoms in the bond pair. :dd
-
-{Core/shell partners were not all found} :dt
-
-Could not find or more atoms in the bond pairs. :dd
-
-{Could not adjust g_ewald_6} :dt
-
-The Newton-Raphson solver failed to converge to a good value for
-g_ewald.  This error should not occur for typical problems.  Please
-send an email to the developers. :dd
-
-{Could not compute g_ewald} :dt
-
-The Newton-Raphson solver failed to converge to a good value for
-g_ewald.  This error should not occur for typical problems.  Please
-send an email to the developers. :dd
-
-{Could not compute grid size} :dt
-
-The code is unable to compute a grid size consistent with the desired
-accuracy.  This error should not occur for typical problems.  Please
-send an email to the developers. :dd
-
-{Could not compute grid size for Coulomb interaction} :dt
-
-The code is unable to compute a grid size consistent with the desired
-accuracy.  This error should not occur for typical problems.  Please
-send an email to the developers. :dd
-
-{Could not compute grid size for Dispersion} :dt
-
-The code is unable to compute a grid size consistent with the desired
-accuracy.  This error should not occur for typical problems.  Please
-send an email to the developers. :dd
-
-{Could not create 3d FFT plan} :dt
-
-The FFT setup for the PPPM solver failed, typically due
-to lack of memory.  This is an unusual error.  Check the
-size of the FFT grid you are requesting. :dd
-
-{Could not create 3d grid of processors} :dt
-
-The specified constraints did not allow a Px by Py by Pz grid to be
-created where Px * Py * Pz = P = total number of processors. :dd
-
-{Could not create 3d remap plan} :dt
-
-The FFT setup in pppm failed. :dd
-
-{Could not create Python function arguments} :dt
-
-This is an internal Python error, possibly because the number
-of inputs to the function is too large. :dd
-
-{Could not create numa grid of processors} :dt
-
-The specified constraints did not allow this style of grid to be
-created.  Usually this is because the total processor count is not a
-multiple of the cores/node or the user specified processor count is >
-1 in one of the dimensions. :dd
-
-{Could not create twolevel 3d grid of processors} :dt
-
-The specified constraints did not allow this style of grid to be
-created. :dd
-
-{Could not evaluate Python function input variable} :dt
-
-Self-explanatory. :dd
-
-{Could not find Python function} :dt
-
-The provided Python code was run successfully, but it not
-define a callable function with the required name. :dd
-
-{Could not find atom_modify first group ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find change_box group ID} :dt
-
-Group ID used in the change_box command does not exist. :dd
-
-{Could not find compute ID for PRD} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute ID for TAD} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute ID for temperature bias} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute ID to delete} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute displace/atom fix ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute event/displace fix ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute group ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute heat/flux compute ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute msd fix ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute msd/chunk fix ID} :dt
-
-The compute creates an internal fix, which has been deleted. :dd
-
-{Could not find compute pressure temperature ID} :dt
-
-The compute ID for calculating temperature does not exist. :dd
-
-{Could not find compute stress/atom temperature ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute vacf fix ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute/voronoi surface group ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find compute_modify ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find custom per-atom property ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find delete_atoms group ID} :dt
-
-Group ID used in the delete_atoms command does not exist. :dd
-
-{Could not find delete_atoms region ID} :dt
-
-Region ID used in the delete_atoms command does not exist. :dd
-
-{Could not find displace_atoms group ID} :dt
-
-Group ID used in the displace_atoms command does not exist. :dd
-
-{Could not find dump custom compute ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find dump custom fix ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find dump custom variable name} :dt
-
-Self-explanatory. :dd
-
-{Could not find dump group ID} :dt
-
-A group ID used in the dump command does not exist. :dd
-
-{Could not find dump local compute ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find dump local fix ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find dump modify compute ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find dump modify custom atom floating point property ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find dump modify custom atom integer property ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find dump modify fix ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find dump modify variable name} :dt
-
-Self-explanatory. :dd
-
-{Could not find fix ID to delete} :dt
-
-Self-explanatory. :dd
-
-{Could not find fix adapt storage fix ID} :dt
-
-This should not happen unless you explicitly deleted
-a secondary fix that fix adapt created internally. :dd
-
-{Could not find fix gcmc exclusion group ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find fix gcmc rotation group ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find fix group ID} :dt
-
-A group ID used in the fix command does not exist. :dd
-
-{Could not find fix msst compute ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find fix poems group ID} :dt
-
-A group ID used in the fix poems command does not exist. :dd
-
-{Could not find fix recenter group ID} :dt
-
-A group ID used in the fix recenter command does not exist. :dd
-
-{Could not find fix rigid group ID} :dt
-
-A group ID used in the fix rigid command does not exist. :dd
-
-{Could not find fix srd group ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find fix_modify ID} :dt
-
-A fix ID used in the fix_modify command does not exist. :dd
-
-{Could not find fix_modify pressure ID} :dt
-
-The compute ID for computing pressure does not exist. :dd
-
-{Could not find fix_modify temperature ID} :dt
-
-The compute ID for computing temperature does not exist. :dd
-
-{Could not find group clear group ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find group delete group ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find pair fix ID} :dt
-
-A fix is created internally by the pair style to store shear
-history information.  You cannot delete it. :dd
-
-{Could not find set group ID} :dt
-
-Group ID specified in set command does not exist. :dd
-
-{Could not find specified fix gcmc group ID} :dt
-
-Self-explanatory. :dd
-
-{Could not find thermo compute ID} :dt
-
-Compute ID specified in thermo_style command does not exist. :dd
-
-{Could not find thermo custom compute ID} :dt
-
-The compute ID needed by thermo style custom to compute a requested
-quantity does not exist. :dd
-
-{Could not find thermo custom fix ID} :dt
-
-The fix ID needed by thermo style custom to compute a requested
-quantity does not exist. :dd
-
-{Could not find thermo custom variable name} :dt
-
-Self-explanatory. :dd
-
-{Could not find thermo fix ID} :dt
-
-Fix ID specified in thermo_style command does not exist. :dd
-
-{Could not find thermo variable name} :dt
-
-Self-explanatory. :dd
-
-{Could not find thermo_modify pressure ID} :dt
-
-The compute ID needed by thermo style custom to compute pressure does
-not exist. :dd
-
-{Could not find thermo_modify temperature ID} :dt
-
-The compute ID needed by thermo style custom to compute temperature does
-not exist. :dd
-
-{Could not find undump ID} :dt
-
-A dump ID used in the undump command does not exist. :dd
-
-{Could not find velocity group ID} :dt
-
-A group ID used in the velocity command does not exist. :dd
-
-{Could not find velocity temperature ID} :dt
-
-The compute ID needed by the velocity command to compute temperature
-does not exist. :dd
-
-{Could not find/initialize a specified accelerator device} :dt
-
-Could not initialize at least one of the devices specified for the gpu
-package :dd
-
-{Could not grab element entry from EIM potential file} :dt
-
-Self-explanatory :dd
-
-{Could not grab global entry from EIM potential file} :dt
-
-Self-explanatory. :dd
-
-{Could not grab pair entry from EIM potential file} :dt
-
-Self-explanatory. :dd
-
-{Could not initialize embedded Python} :dt
-
-The main module in Python was not accessible. :dd
-
-{Could not open Python file} :dt
-
-The specified file of Python code cannot be opened.  Check that the
-path and name are correct. :dd
-
-{Could not process Python file} :dt
-
-The Python code in the specified file was not run successfully by
-Python, probably due to errors in the Python code. :dd
-
-{Could not process Python string} :dt
-
-The Python code in the here string was not run successfully by Python,
-probably due to errors in the Python code. :dd
-
-{Coulomb PPPMDisp order has been reduced below minorder} :dt
-
-The default minimum order is 2.  This can be reset by the
-kspace_modify minorder command. :dd
-
-{Coulombic cutoff not supported in pair_style buck/long/coul/coul} :dt
-
-Must use long-range Coulombic interactions. :dd
-
-{Coulombic cutoff not supported in pair_style lj/long/coul/long} :dt
-
-Must use long-range Coulombic interactions. :dd
-
-{Coulombic cutoff not supported in pair_style lj/long/tip4p/long} :dt
-
-Must use long-range Coulombic interactions. :dd
-
-{Coulombic cutoffs of pair hybrid sub-styles do not match} :dt
-
-If using a Kspace solver, all Coulombic cutoffs of long pair styles must
-be the same. :dd
-
-{Coulombic cut not supported in pair_style lj/long/dipole/long} :dt
-
-Must use long-range Coulombic interactions. :dd
-
-{Cound not find dump_modify ID} :dt
-
-Self-explanatory. :dd
-
-{Create_atoms command before simulation box is defined} :dt
-
-The create_atoms command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{Create_atoms molecule has atom IDs, but system does not} :dt
-
-The atom_style id command can be used to force atom IDs to be stored. :dd
-
-{Create_atoms molecule must have atom types} :dt
-
-The defined molecule does not specify atom types. :dd
-
-{Create_atoms molecule must have coordinates} :dt
-
-The defined molecule does not specify coordinates. :dd
-
-{Create_atoms region ID does not exist} :dt
-
-A region ID used in the create_atoms command does not exist. :dd
-
-{Create_bonds command before simulation box is defined} :dt
-
-Self-explanatory. :dd
-
-{Create_bonds command requires no kspace_style be defined} :dt
-
-This is so that atom pairs that are already bonded to not appear
-in the neighbor list. :dd
-
-{Create_bonds command requires special_bonds 1-2 weights be 0.0} :dt
-
-This is so that atom pairs that are already bonded to not appear in
-the neighbor list. :dd
-
-{Create_bonds max distance > neighbor cutoff} :dt
-
-Can only create bonds for atom pairs that will be in neighbor list. :dd
-
-{Create_bonds requires a pair style be defined} :dt
-
-Self-explanatory. :dd
-
-{Create_box region ID does not exist} :dt
-
-Self-explanatory. :dd
-
-{Create_box region does not support a bounding box} :dt
-
-Not all regions represent bounded volumes.  You cannot use
-such a region with the create_box command. :dd
-
-{Custom floating point vector for fix store/state does not exist} :dt
-
-The command is accessing a vector added by the fix property/atom
-command, that does not exist. :dd
-
-{Custom integer vector for fix store/state does not exist} :dt
-
-The command is accessing a vector added by the fix property/atom
-command, that does not exist. :dd
-
-{Custom per-atom property ID is not floating point} :dt
-
-Self-explanatory. :dd
-
-{Custom per-atom property ID is not integer} :dt
-
-Self-explanatory. :dd
-
-{Cut-offs missing in pair_style lj/long/dipole/long} :dt
-
-Self-explanatory. :dd
-
-{Cutoffs missing in pair_style buck/long/coul/long} :dt
-
-Self-explanatory. :dd
-
-{Cutoffs missing in pair_style lj/long/coul/long} :dt
-
-Self-explanatory. :dd
-
-{Cyclic loop in joint connections} :dt
-
-Fix poems cannot (yet) work with coupled bodies whose joints connect
-the bodies in a ring (or cycle). :dd
-
-{Degenerate lattice primitive vectors} :dt
-
-Invalid set of 3 lattice vectors for lattice command. :dd
-
-{Delete region ID does not exist} :dt
-
-Self-explanatory. :dd
-
-{Delete_atoms command before simulation box is defined} :dt
-
-The delete_atoms command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{Delete_atoms cutoff > max neighbor cutoff} :dt
-
-Can only delete atoms in atom pairs that will be in neighbor list. :dd
-
-{Delete_atoms mol yes requires atom attribute molecule} :dt
-
-Cannot use this option with a non-molecular system. :dd
-
-{Delete_atoms requires a pair style be defined} :dt
-
-This is because atom deletion within a cutoff uses a pairwise
-neighbor list. :dd
-
-{Delete_bonds command before simulation box is defined} :dt
-
-The delete_bonds command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{Delete_bonds command with no atoms existing} :dt
-
-No atoms are yet defined so the delete_bonds command cannot be used. :dd
-
-{Deposition region extends outside simulation box} :dt
-
-Self-explanatory. :dd
-
-{Did not assign all atoms correctly} :dt
-
-Atoms read in from a data file were not assigned correctly to
-processors.  This is likely due to some atom coordinates being
-outside a non-periodic simulation box. :dd
-
-{Did not assign all restart atoms correctly} :dt
-
-Atoms read in from the restart file were not assigned correctly to
-processors.  This is likely due to some atom coordinates being outside
-a non-periodic simulation box.  Normally this should not happen.  You
-may wish to use the "remap" option on the read_restart command to see
-if this helps. :dd
-
-{Did not find all elements in MEAM library file} :dt
-
-The requested elements were not found in the MEAM file. :dd
-
-{Did not find fix shake partner info} :dt
-
-Could not find bond partners implied by fix shake command.  This error
-can be triggered if the delete_bonds command was used before fix
-shake, and it removed bonds without resetting the 1-2, 1-3, 1-4
-weighting list via the special keyword. :dd
-
-{Did not find keyword in table file} :dt
-
-Keyword used in pair_coeff command was not found in table file. :dd
-
-{Did not set pressure for fix rigid/nph} :dt
-
-The press keyword must be specified. :dd
-
-{Did not set temp for fix rigid/nvt/small} :dt
-
-Self-explanatory. :dd
-
-{Did not set temp or press for fix rigid/npt/small} :dt
-
-Self-explanatory. :dd
-
-{Did not set temperature for fix rigid/nvt} :dt
-
-The temp keyword must be specified. :dd
-
-{Did not set temperature or pressure for fix rigid/npt} :dt
-
-The temp and press keywords must be specified. :dd
-
-{Dihedral atom missing in delete_bonds} :dt
-
-The delete_bonds command cannot find one or more atoms in a particular
-dihedral on a particular processor.  The pairwise cutoff is too short
-or the atoms are too far apart to make a valid dihedral. :dd
-
-{Dihedral atom missing in set command} :dt
-
-The set command cannot find one or more atoms in a particular dihedral
-on a particular processor.  The pairwise cutoff is too short or the
-atoms are too far apart to make a valid dihedral. :dd
-
-{Dihedral atoms %d %d %d %d missing on proc %d at step %ld} :dt
-
-One or more of 4 atoms needed to compute a particular dihedral are
-missing on this processor.  Typically this is because the pairwise
-cutoff is set too short or the dihedral has blown apart and an atom is
-too far away. :dd
-
-{Dihedral atoms missing on proc %d at step %ld} :dt
-
-One or more of 4 atoms needed to compute a particular dihedral are
-missing on this processor.  Typically this is because the pairwise
-cutoff is set too short or the dihedral has blown apart and an atom is
-too far away. :dd
-
-{Dihedral charmm is incompatible with Pair style} :dt
-
-Dihedral style charmm must be used with a pair style charmm
-in order for the 1-4 epsilon/sigma parameters to be defined. :dd
-
-{Dihedral coeff for hybrid has invalid style} :dt
-
-Dihedral style hybrid uses another dihedral style as one of its
-coefficients.  The dihedral style used in the dihedral_coeff command
-or read from a restart file is not recognized. :dd
-
-{Dihedral coeffs are not set} :dt
-
-No dihedral coefficients have been assigned in the data file or via
-the dihedral_coeff command. :dd
-
-{Dihedral style hybrid cannot have hybrid as an argument} :dt
-
-Self-explanatory. :dd
-
-{Dihedral style hybrid cannot have none as an argument} :dt
-
-Self-explanatory. :dd
-
-{Dihedral style hybrid cannot use same dihedral style twice} :dt
-
-Self-explanatory. :dd
-
-{Dihedral/improper extent > half of periodic box length} :dt
-
-This error was detected by the neigh_modify check yes setting.  It is
-an error because the dihedral atoms are so far apart it is ambiguous
-how it should be defined. :dd
-
-{Dihedral_coeff command before dihedral_style is defined} :dt
-
-Coefficients cannot be set in the data file or via the dihedral_coeff
-command until an dihedral_style has been assigned. :dd
-
-{Dihedral_coeff command before simulation box is defined} :dt
-
-The dihedral_coeff command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{Dihedral_coeff command when no dihedrals allowed} :dt
-
-The chosen atom style does not allow for dihedrals to be defined. :dd
-
-{Dihedral_style command when no dihedrals allowed} :dt
-
-The chosen atom style does not allow for dihedrals to be defined. :dd
-
-{Dihedrals assigned incorrectly} :dt
-
-Dihedrals read in from the data file were not assigned correctly to
-atoms.  This means there is something invalid about the topology
-definitions. :dd
-
-{Dihedrals defined but no dihedral types} :dt
-
-The data file header lists dihedrals but no dihedral types. :dd
-
-{Dimension command after simulation box is defined} :dt
-
-The dimension command cannot be used after a read_data,
-read_restart, or create_box command. :dd
-
-{Dispersion PPPMDisp order has been reduced below minorder} :dt
-
-The default minimum order is 2.  This can be reset by the
-kspace_modify minorder command. :dd
-
-{Displace_atoms command before simulation box is defined} :dt
-
-The displace_atoms command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{Distance must be > 0 for compute event/displace} :dt
-
-Self-explanatory. :dd
-
-{Divide by 0 in influence function} :dt
-
-This should not normally occur.  It is likely a problem with your
-model. :dd
-
-{Divide by 0 in influence function of pair peri/lps} :dt
-
-This should not normally occur.  It is likely a problem with your
-model. :dd
-
-{Divide by 0 in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Domain too large for neighbor bins} :dt
-
-The domain has become extremely large so that neighbor bins cannot be
-used.  Most likely, one or more atoms have been blown out of the
-simulation box to a great distance. :dd
-
-{Double precision is not supported on this accelerator} :dt
-
-Self-explanatory :dd
-
-{Dump atom/gz only writes compressed files} :dt
-
-The dump atom/gz output file name must have a .gz suffix. :dd
-
-{Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu} :dt
-
-Self-explanatory. :dd
-
-{Dump cfg arguments must start with 'mass type xs ys zs' or 'mass type xsu ysu zsu'} :dt
-
-This is a requirement of the CFG output format.  See the dump cfg doc
-page for more details. :dd
-
-{Dump cfg requires one snapshot per file} :dt
-
-Use the wildcard "*" character in the filename. :dd
-
-{Dump cfg/gz only writes compressed files} :dt
-
-The dump cfg/gz output file name must have a .gz suffix. :dd
-
-{Dump custom and fix not computed at compatible times} :dt
-
-The fix must produce per-atom quantities on timesteps that dump custom
-needs them. :dd
-
-{Dump custom compute does not calculate per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Dump custom compute does not calculate per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Dump custom compute does not compute per-atom info} :dt
-
-Self-explanatory. :dd
-
-{Dump custom compute vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Dump custom fix does not compute per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Dump custom fix does not compute per-atom info} :dt
-
-Self-explanatory. :dd
-
-{Dump custom fix does not compute per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Dump custom fix vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Dump custom variable is not atom-style variable} :dt
-
-Only atom-style variables generate per-atom quantities, needed for
-dump output. :dd
-
-{Dump custom/gz only writes compressed files} :dt
-
-The dump custom/gz output file name must have a .gz suffix. :dd
-
-{Dump dcd of non-matching # of atoms} :dt
-
-Every snapshot written by dump dcd must contain the same # of atoms. :dd
-
-{Dump dcd requires sorting by atom ID} :dt
-
-Use the dump_modify sort command to enable this. :dd
-
-{Dump every variable returned a bad timestep} :dt
-
-The variable must return a timestep greater than the current timestep. :dd
-
-{Dump file MPI-IO output not allowed with % in filename} :dt
-
-This is because a % signifies one file per processor and MPI-IO
-creates one large file for all processors. :dd
-
-{Dump file does not contain requested snapshot} :dt
-
-Self-explanatory. :dd
-
-{Dump file is incorrectly formatted} :dt
-
-Self-explanatory. :dd
-
-{Dump image body yes requires atom style body} :dt
-
-Self-explanatory. :dd
-
-{Dump image bond not allowed with no bond types} :dt
-
-Self-explanatory. :dd
-
-{Dump image cannot perform sorting} :dt
-
-Self-explanatory. :dd
-
-{Dump image line requires atom style line} :dt
-
-Self-explanatory. :dd
-
-{Dump image persp option is not yet supported} :dt
-
-Self-explanatory. :dd
-
-{Dump image requires one snapshot per file} :dt
-
-Use a "*" in the filename. :dd
-
-{Dump image tri requires atom style tri} :dt
-
-Self-explanatory. :dd
-
-{Dump local and fix not computed at compatible times} :dt
-
-The fix must produce per-atom quantities on timesteps that dump local
-needs them. :dd
-
-{Dump local attributes contain no compute or fix} :dt
-
-Self-explanatory. :dd
-
-{Dump local cannot sort by atom ID} :dt
-
-This is because dump local does not really dump per-atom info. :dd
-
-{Dump local compute does not calculate local array} :dt
-
-Self-explanatory. :dd
-
-{Dump local compute does not calculate local vector} :dt
-
-Self-explanatory. :dd
-
-{Dump local compute does not compute local info} :dt
-
-Self-explanatory. :dd
-
-{Dump local compute vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Dump local count is not consistent across input fields} :dt
-
-Every column of output must be the same length. :dd
-
-{Dump local fix does not compute local array} :dt
-
-Self-explanatory. :dd
-
-{Dump local fix does not compute local info} :dt
-
-Self-explanatory. :dd
-
-{Dump local fix does not compute local vector} :dt
-
-Self-explanatory. :dd
-
-{Dump local fix vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Dump modify bcolor not allowed with no bond types} :dt
-
-Self-explanatory. :dd
-
-{Dump modify bdiam not allowed with no bond types} :dt
-
-Self-explanatory. :dd
-
-{Dump modify compute ID does not compute per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Dump modify compute ID does not compute per-atom info} :dt
-
-Self-explanatory. :dd
-
-{Dump modify compute ID does not compute per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Dump modify compute ID vector is not large enough} :dt
-
-Self-explanatory. :dd
-
-{Dump modify element names do not match atom types} :dt
-
-Number of element names must equal number of atom types. :dd
-
-{Dump modify fix ID does not compute per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Dump modify fix ID does not compute per-atom info} :dt
-
-Self-explanatory. :dd
-
-{Dump modify fix ID does not compute per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Dump modify fix ID vector is not large enough} :dt
-
-Self-explanatory. :dd
-
-{Dump modify variable is not atom-style variable} :dt
-
-Self-explanatory. :dd
-
-{Dump sort column is invalid} :dt
-
-Self-explanatory. :dd
-
-{Dump xtc requires sorting by atom ID} :dt
-
-Use the dump_modify sort command to enable this. :dd
-
-{Dump xyz/gz only writes compressed files} :dt
-
-The dump xyz/gz output file name must have a .gz suffix. :dd
-
-{Dump_modify buffer yes not allowed for this style} :dt
-
-Self-explanatory. :dd
-
-{Dump_modify format string is too short} :dt
-
-There are more fields to be dumped in a line of output than your
-format string specifies. :dd
-
-{Dump_modify region ID does not exist} :dt
-
-Self-explanatory. :dd
-
-{Dumping an atom property that isn't allocated} :dt
-
-The chosen atom style does not define the per-atom quantity being
-dumped. :dd
-
-{Duplicate atom IDs exist} :dt
-
-Self-explanatory. :dd
-
-{Duplicate fields in read_dump command} :dt
-
-Self-explanatory. :dd
-
-{Duplicate particle in PeriDynamic bond - simulation box is too small} :dt
-
-This is likely because your box length is shorter than 2 times
-the bond length. :dd
-
-{Electronic temperature dropped below zero} :dt
-
-Something has gone wrong with the fix ttm electron temperature model. :dd
-
-{Element not defined in potential file} :dt
-
-The specified element is not in the potential file. :dd
-
-{Empty brackets in variable} :dt
-
-There is no variable syntax that uses empty brackets.  Check
-the variable doc page. :dd
-
-{Energy was not tallied on needed timestep} :dt
-
-You are using a thermo keyword that requires potentials to
-have tallied energy, but they didn't on this timestep.  See the
-variable doc page for ideas on how to make this work. :dd
-
-{Epsilon or sigma reference not set by pair style in PPPMDisp} :dt
-
-Self-explanatory. :dd
-
-{Epsilon or sigma reference not set by pair style in ewald/n} :dt
-
-The pair style is not providing the needed epsilon or sigma values. :dd
-
-{Error in vdw spline: inner radius > outer radius} :dt
-
-A pre-tabulated spline is invalid.  Likely a problem with the
-potential parameters. :dd
-
-{Error writing averaged chunk data} :dt
-
-Something in the output to the file triggered an error. :dd
-
-{Error writing file header} :dt
-
-Something in the output to the file triggered an error. :dd
-
-{Error writing out correlation data} :dt
-
-Something in the output to the file triggered an error. :dd
-
-{Error writing out histogram data} :dt
-
-Something in the output to the file triggered an error. :dd
-
-{Error writing out time averaged data} :dt
-
-Something in the output to the file triggered an error. :dd
-
-{Failed to allocate %ld bytes for array %s} :dt
-
-Your LAMMPS simulation has run out of memory.  You need to run a
-smaller simulation or on more processors. :dd
-
-{Failed to open FFmpeg pipeline to file %s} :dt
-
-The specified file cannot be opened.  Check that the path and name are
-correct and writable and that the FFmpeg executable can be found and run. :dd
-
-{Failed to reallocate %ld bytes for array %s} :dt
-
-Your LAMMPS simulation has run out of memory.  You need to run a
-smaller simulation or on more processors. :dd
-
-{Fewer SRD bins than processors in some dimension} :dt
-
-This is not allowed.  Make your SRD bin size smaller. :dd
-
-{File variable could not read value} :dt
-
-Check the file assigned to the variable. :dd
-
-{Final box dimension due to fix deform is < 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix %s does not allow use of dynamic group} :dt
-
-Dynamic groups have not yet been enabled for this fix. :dd
-
-{Fix ID for compute chunk/atom does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for compute erotate/rigid does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for compute ke/rigid does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for compute reduce does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for compute slice does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for fix ave/atom does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for fix ave/chunk does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for fix ave/correlate does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for fix ave/histo does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for fix ave/time does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for fix store/state does not exist} :dt
-
-Self-explanatory :dd
-
-{Fix ID for fix vector does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for read_data does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID for velocity does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix ID must be alphanumeric or underscore characters} :dt
-
-Self-explanatory. :dd
-
-{Fix SRD: bad bin assignment for SRD advection} :dt
-
-Something has gone wrong in your SRD model; try using more
-conservative settings. :dd
-
-{Fix SRD: bad search bin assignment} :dt
-
-Something has gone wrong in your SRD model; try using more
-conservative settings. :dd
-
-{Fix SRD: bad stencil bin for big particle} :dt
-
-Something has gone wrong in your SRD model; try using more
-conservative settings. :dd
-
-{Fix SRD: too many big particles in bin} :dt
-
-Reset the ATOMPERBIN parameter at the top of fix_srd.cpp
-to a larger value, and re-compile the code. :dd
-
-{Fix SRD: too many walls in bin} :dt
-
-This should not happen unless your system has been setup incorrectly. :dd
-
-{Fix adapt interface to this pair style not supported} :dt
-
-New coding for the pair style would need to be done. :dd
-
-{Fix adapt kspace style does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix adapt pair style does not exist} :dt
-
-Self-explanatory :dd
-
-{Fix adapt pair style param not supported} :dt
-
-The pair style does not know about the parameter you specified. :dd
-
-{Fix adapt requires atom attribute charge} :dt
-
-The atom style being used does not specify an atom charge. :dd
-
-{Fix adapt requires atom attribute diameter} :dt
-
-The atom style being used does not specify an atom diameter. :dd
-
-{Fix adapt type pair range is not valid for pair hybrid sub-style} :dt
-
-Self-explanatory. :dd
-
-{Fix append/atoms requires a lattice be defined} :dt
-
-Use the lattice command for this purpose. :dd
-
-{Fix ave/atom compute array is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/atom compute does not calculate a per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/atom compute does not calculate a per-atom vector} :dt
-
-A compute used by fix ave/atom must generate per-atom values. :dd
-
-{Fix ave/atom compute does not calculate per-atom values} :dt
-
-A compute used by fix ave/atom must generate per-atom values. :dd
-
-{Fix ave/atom fix array is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/atom fix does not calculate a per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/atom fix does not calculate a per-atom vector} :dt
-
-A fix used by fix ave/atom must generate per-atom values. :dd
-
-{Fix ave/atom fix does not calculate per-atom values} :dt
-
-A fix used by fix ave/atom must generate per-atom values. :dd
-
-{Fix ave/atom variable is not atom-style variable} :dt
-
-A variable used by fix ave/atom must generate per-atom values. :dd
-
-{Fix ave/chunk compute does not calculate a per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/chunk compute does not calculate a per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/chunk compute does not calculate per-atom values} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/chunk compute vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/chunk does not use chunk/atom compute} :dt
-
-The specified compute is not for a compute chunk/atom command. :dd
-
-{Fix ave/chunk fix does not calculate a per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/chunk fix does not calculate a per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/chunk fix does not calculate per-atom values} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/chunk fix vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/chunk variable is not atom-style variable} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/correlate compute does not calculate a scalar} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/correlate compute does not calculate a vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/correlate compute vector is accessed out-of-range} :dt
-
-The index for the vector is out of bounds. :dd
-
-{Fix ave/correlate fix does not calculate a scalar} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/correlate fix does not calculate a vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/correlate fix vector is accessed out-of-range} :dt
-
-The index for the vector is out of bounds. :dd
-
-{Fix ave/correlate variable is not equal-style variable} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo cannot input local values in scalar mode} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo cannot input per-atom values in scalar mode} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute array is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute does not calculate a global array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute does not calculate a global scalar} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute does not calculate a global vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute does not calculate a local array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute does not calculate a local vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute does not calculate a per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute does not calculate a per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute does not calculate local values} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute does not calculate per-atom values} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo compute vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix array is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix does not calculate a global array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix does not calculate a global scalar} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix does not calculate a global vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix does not calculate a local array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix does not calculate a local vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix does not calculate a per-atom array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix does not calculate a per-atom vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix does not calculate local values} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix does not calculate per-atom values} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo fix vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo input is invalid compute} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo input is invalid fix} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo input is invalid variable} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/histo inputs are not all global, peratom, or local} :dt
-
-All inputs in a single fix ave/histo command must be of the
-same style. :dd
-
-{Fix ave/histo/weight value and weight vector lengths do not match} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/time cannot set output array intensive/extensive from these inputs} :dt
-
-One of more of the vector inputs has individual elements which are
-flagged as intensive or extensive.  Such an input cannot be flagged as
-all intensive/extensive when turned into an array by fix ave/time. :dd
-
-{Fix ave/time cannot use variable with vector mode} :dt
-
-Variables produce scalar values. :dd
-
-{Fix ave/time columns are inconsistent lengths} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/time compute array is accessed out-of-range} :dt
-
-An index for the array is out of bounds. :dd
-
-{Fix ave/time compute does not calculate a scalar} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/time compute does not calculate a vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/time compute does not calculate an array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/time compute vector is accessed out-of-range} :dt
-
-The index for the vector is out of bounds. :dd
-
-{Fix ave/time fix array cannot be variable length} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/time fix array is accessed out-of-range} :dt
-
-An index for the array is out of bounds. :dd
-
-{Fix ave/time fix does not calculate a scalar} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/time fix does not calculate a vector} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/time fix does not calculate an array} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/time fix vector cannot be variable length} :dt
-
-Self-explanatory. :dd
-
-{Fix ave/time fix vector is accessed out-of-range} :dt
-
-The index for the vector is out of bounds. :dd
-
-{Fix ave/time variable is not equal-style variable} :dt
-
-Self-explanatory. :dd
-
-{Fix balance rcb cannot be used with comm_style brick} :dt
-
-Comm_style tiled must be used instead. :dd
-
-{Fix balance shift string is invalid} :dt
-
-The string can only contain the characters "x", "y", or "z". :dd
-
-{Fix bond/break needs ghost atoms from further away} :dt
-
-This is because the fix needs to walk bonds to a certain distance to
-acquire needed info, The comm_modify cutoff command can be used to
-extend the communication range. :dd
-
-{Fix bond/create angle type is invalid} :dt
-
-Self-explanatory. :dd
-
-{Fix bond/create cutoff is longer than pairwise cutoff} :dt
-
-This is not allowed because bond creation is done using the
-pairwise neighbor list. :dd
-
-{Fix bond/create dihedral type is invalid} :dt
-
-Self-explanatory. :dd
-
-{Fix bond/create improper type is invalid} :dt
-
-Self-explanatory. :dd
-
-{Fix bond/create induced too many angles/dihedrals/impropers per atom} :dt
-
-See the read_data command for info on using the "extra/angle/per/atom",
-(or dihedral, improper) keywords to allow for additional
-angles, dihedrals, and impropers to be formed. :dd
-
-{Fix bond/create needs ghost atoms from further away} :dt
-
-This is because the fix needs to walk bonds to a certain distance to
-acquire needed info, The comm_modify cutoff command can be used to
-extend the communication range. :dd
-
-{Fix bond/swap cannot use dihedral or improper styles} :dt
-
-These styles cannot be defined when using this fix. :dd
-
-{Fix bond/swap requires pair and bond styles} :dt
-
-Self-explanatory. :dd
-
-{Fix bond/swap requires special_bonds = 0,1,1} :dt
-
-Self-explanatory. :dd
-
-{Fix box/relax generated negative box length} :dt
-
-The pressure being applied is likely too large.  Try applying
-it incrementally, to build to the high pressure. :dd
-
-{Fix command before simulation box is defined} :dt
-
-The fix command cannot be used before a read_data, read_restart, or
-create_box command. :dd
-
-{Fix deform cannot use yz variable with xy} :dt
-
-The yz setting cannot be a variable if xy deformation is also
-specified.  This is because LAMMPS cannot determine if the yz setting
-will induce a box flip which would be invalid if xy is also changing. :dd
-
-{Fix deform is changing yz too much with xy} :dt
-
-When both yz and xy are changing, it induces changes in xz if the
-box must flip from one tilt extreme to another.  Thus it is not
-allowed for yz to grow so much that a flip is induced. :dd
-
-{Fix deform tilt factors require triclinic box} :dt
-
-Cannot deform the tilt factors of a simulation box unless it
-is a triclinic (non-orthogonal) box. :dd
-
-{Fix deform volume setting is invalid} :dt
-
-Cannot use volume style unless other dimensions are being controlled. :dd
-
-{Fix deposit and fix rigid/small not using same molecule template ID} :dt
-
-Self-explanatory. :dd
-
-{Fix deposit and fix shake not using same molecule template ID} :dt
-
-Self-explanatory. :dd
-
-{Fix deposit molecule must have atom types} :dt
-
-The defined molecule does not specify atom types. :dd
-
-{Fix deposit molecule must have coordinates} :dt
-
-The defined molecule does not specify coordinates. :dd
-
-{Fix deposit molecule template ID must be same as atom_style template ID} :dt
-
-When using atom_style template, you cannot deposit molecules that are
-not in that template. :dd
-
-{Fix deposit region cannot be dynamic} :dt
-
-Only static regions can be used with fix deposit. :dd
-
-{Fix deposit region does not support a bounding box} :dt
-
-Not all regions represent bounded volumes.  You cannot use
-such a region with the fix deposit command. :dd
-
-{Fix deposit shake fix does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix efield requires atom attribute q or mu} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Fix efield with dipoles cannot use atom-style variables} :dt
-
-This option is not supported. :dd
-
-{Fix evaporate molecule requires atom attribute molecule} :dt
-
-The atom style being used does not define a molecule ID. :dd
-
-{Fix external callback function not set} :dt
-
-This must be done by an external program in order to use this fix. :dd
-
-{Fix for fix ave/atom not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  Fix ave/atom is
-requesting a value on a non-allowed timestep. :dd
-
-{Fix for fix ave/chunk not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  Fix ave/chunk is
-requesting a value on a non-allowed timestep. :dd
-
-{Fix for fix ave/correlate not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  Fix ave/correlate
-is requesting a value on a non-allowed timestep. :dd
-
-{Fix for fix ave/histo not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  Fix ave/histo is
-requesting a value on a non-allowed timestep. :dd
-
-{Fix for fix ave/spatial not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  Fix ave/spatial is
-requesting a value on a non-allowed timestep. :dd
-
-{Fix for fix ave/time not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  Fix ave/time
-is requesting a value on a non-allowed timestep. :dd
-
-{Fix for fix store/state not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  Fix store/state
-is requesting a value on a non-allowed timestep. :dd
-
-{Fix for fix vector not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  Fix vector is
-requesting a value on a non-allowed timestep. :dd
-
-{Fix freeze requires atom attribute torque} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Fix gcmc and fix shake not using same molecule template ID} :dt
-
-Self-explanatory. :dd
-
-{Fix gcmc atom has charge, but atom style does not} :dt
-
-Self-explanatory. :dd
-
-{Fix gcmc cannot exchange individual atoms belonging to a molecule} :dt
-
-This is an error since you should not delete only one atom of a
-molecule.  The user has specified atomic (non-molecular) gas
-exchanges, but an atom belonging to a molecule could be deleted. :dd
-
-{Fix gcmc does not (yet) work with atom_style template} :dt
-
-Self-explanatory. :dd
-
-{Fix gcmc molecule command requires that atoms have molecule attributes} :dt
-
-Should not choose the gcmc molecule feature if no molecules are being
-simulated. The general molecule flag is off, but gcmc's molecule flag
-is on. :dd
-
-{Fix gcmc molecule has charges, but atom style does not} :dt
-
-Self-explanatory. :dd
-
-{Fix gcmc molecule must have atom types} :dt
-
-The defined molecule does not specify atom types. :dd
-
-{Fix gcmc molecule must have coordinates} :dt
-
-The defined molecule does not specify coordinates. :dd
-
-{Fix gcmc molecule template ID must be same as atom_style template ID} :dt
-
-When using atom_style template, you cannot insert molecules that are
-not in that template. :dd
-
-{Fix gcmc put atom outside box} :dt
-
-This should not normally happen.  Contact the developers. :dd
-
-{Fix gcmc ran out of available atom IDs} :dt
-
-See the setting for tagint in the src/lmptype.h file. :dd
-
-{Fix gcmc ran out of available molecule IDs} :dt
-
-See the setting for tagint in the src/lmptype.h file. :dd
-
-{Fix gcmc region cannot be dynamic} :dt
-
-Only static regions can be used with fix gcmc. :dd
-
-{Fix gcmc region does not support a bounding box} :dt
-
-Not all regions represent bounded volumes.  You cannot use
-such a region with the fix gcmc command. :dd
-
-{Fix gcmc region extends outside simulation box} :dt
-
-Self-explanatory. :dd
-
-{Fix gcmc shake fix does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix gld c coefficients must be >= 0} :dt
-
-Self-explanatory. :dd
-
-{Fix gld needs more prony series coefficients} :dt
-
-Self-explanatory. :dd
-
-{Fix gld prony terms must be > 0} :dt
-
-Self-explanatory. :dd
-
-{Fix gld series type must be pprony for now} :dt
-
-Self-explanatory. :dd
-
-{Fix gld start temperature must be >= 0} :dt
-
-Self-explanatory. :dd
-
-{Fix gld stop temperature must be >= 0} :dt
-
-Self-explanatory. :dd
-
-{Fix gld tau coefficients must be > 0} :dt
-
-Self-explanatory. :dd
-
-{Fix heat group has no atoms} :dt
-
-Self-explanatory. :dd
-
-{Fix heat kinetic energy of an atom went negative} :dt
-
-This will cause the velocity rescaling about to be performed by fix
-heat to be invalid. :dd
-
-{Fix heat kinetic energy went negative} :dt
-
-This will cause the velocity rescaling about to be performed by fix
-heat to be invalid. :dd
-
-{Fix in variable not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  The variable is
-requesting the values on a non-allowed timestep. :dd
-
-{Fix langevin angmom is not yet implemented with kokkos} :dt
-
-This option is not yet available. :dd
-
-{Fix langevin angmom requires atom style ellipsoid} :dt
-
-Self-explanatory. :dd
-
-{Fix langevin angmom requires extended particles} :dt
-
-This fix option cannot be used with point particles. :dd
-
-{Fix langevin gjf and respa are not compatible} :dt
-
-Self-explanatory. :dd
-
-{Fix langevin gjf cannot have period equal to dt/2} :dt
-
-If the period is equal to dt/2 then division by zero will happen. :dd
-
-{Fix langevin gjf should come before fix nve} :dt
-
-Self-explanatory. :dd
-
-{Fix langevin gjf with tbias is not yet implemented with kokkos} :dt
-
-This option is not yet available. :dd
-
-{Fix langevin omega is not yet implemented with kokkos} :dt
-
-This option is not yet available. :dd
-
-{Fix langevin omega requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Fix langevin omega requires extended particles} :dt
-
-One of the particles has radius 0.0. :dd
-
-{Fix langevin period must be > 0.0} :dt
-
-The time window for temperature relaxation must be > 0 :dd
-
-{Fix langevin variable returned negative temperature} :dt
-
-Self-explanatory. :dd
-
-{Fix momentum group has no atoms} :dt
-
-Self-explanatory. :dd
-
-{Fix move cannot define z or vz variable for 2d problem} :dt
-
-Self-explanatory. :dd
-
-{Fix move cannot rotate aroung non z-axis for 2d problem} :dt
-
-Self-explanatory. :dd
-
-{Fix move cannot set linear z motion for 2d problem} :dt
-
-Self-explanatory. :dd
-
-{Fix move cannot set wiggle z motion for 2d problem} :dt
-
-Self-explanatory. :dd
-
-{Fix msst compute ID does not compute potential energy} :dt
-
-Self-explanatory. :dd
-
-{Fix msst compute ID does not compute pressure} :dt
-
-Self-explanatory. :dd
-
-{Fix msst compute ID does not compute temperature} :dt
-
-Self-explanatory. :dd
-
-{Fix msst requires a periodic box} :dt
-
-Self-explanatory. :dd
-
-{Fix msst tscale must satisfy 0 <= tscale < 1} :dt
-
-Self-explanatory. :dd
-
-{Fix npt/nph has tilted box too far in one step - periodic cell is too far from equilibrium state} :dt
-
-Self-explanatory.  The change in the box tilt is too extreme
-on a short timescale. :dd
-
-{Fix nve/asphere requires extended particles} :dt
-
-This fix can only be used for particles with a shape setting. :dd
-
-{Fix nve/asphere/noforce requires atom style ellipsoid} :dt
-
-Self-explanatory. :dd
-
-{Fix nve/asphere/noforce requires extended particles} :dt
-
-One of the particles is not an ellipsoid. :dd
-
-{Fix nve/body requires atom style body} :dt
-
-Self-explanatory. :dd
-
-{Fix nve/body requires bodies} :dt
-
-This fix can only be used for particles that are bodies. :dd
-
-{Fix nve/line can only be used for 2d simulations} :dt
-
-Self-explanatory. :dd
-
-{Fix nve/line requires atom style line} :dt
-
-Self-explanatory. :dd
-
-{Fix nve/line requires line particles} :dt
-
-Self-explanatory. :dd
-
-{Fix nve/sphere dipole requires atom attribute mu} :dt
-
-An atom style with this attribute is needed. :dd
-
-{Fix nve/sphere requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Fix nve/sphere requires extended particles} :dt
-
-This fix can only be used for particles of a finite size. :dd
-
-{Fix nve/tri can only be used for 3d simulations} :dt
-
-Self-explanatory. :dd
-
-{Fix nve/tri requires atom style tri} :dt
-
-Self-explanatory. :dd
-
-{Fix nve/tri requires tri particles} :dt
-
-Self-explanatory. :dd
-
-{Fix nvt/nph/npt asphere requires extended particles} :dt
-
-The shape setting for a particle in the fix group has shape = 0.0,
-which means it is a point particle. :dd
-
-{Fix nvt/nph/npt body requires bodies} :dt
-
-Self-explanatory. :dd
-
-{Fix nvt/nph/npt sphere requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Fix nvt/npt/nph damping parameters must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix nvt/npt/nph dilate group ID does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix nvt/sphere requires extended particles} :dt
-
-This fix can only be used for particles of a finite size. :dd
-
-{Fix orient/fcc file open failed} :dt
-
-The fix orient/fcc command could not open a specified file. :dd
-
-{Fix orient/fcc file read failed} :dt
-
-The fix orient/fcc command could not read the needed parameters from a
-specified file. :dd
-
-{Fix orient/fcc found self twice} :dt
-
-The neighbor lists used by fix orient/fcc are messed up.  If this
-error occurs, it is likely a bug, so send an email to the
-"developers"_http://lammps.sandia.gov/authors.html. :dd
-
-{Fix peri neigh does not exist} :dt
-
-Somehow a fix that the pair style defines has been deleted. :dd
-
-{Fix pour and fix rigid/small not using same molecule template ID} :dt
-
-Self-explanatory. :dd
-
-{Fix pour and fix shake not using same molecule template ID} :dt
-
-Self-explanatory. :dd
-
-{Fix pour insertion count per timestep is 0} :dt
-
-Self-explanatory. :dd
-
-{Fix pour molecule must have atom types} :dt
-
-The defined molecule does not specify atom types. :dd
-
-{Fix pour molecule must have coordinates} :dt
-
-The defined molecule does not specify coordinates. :dd
-
-{Fix pour molecule template ID must be same as atom style template ID} :dt
-
-When using atom_style template, you cannot pour molecules that are
-not in that template. :dd
-
-{Fix pour polydisperse fractions do not sum to 1.0} :dt
-
-Self-explanatory. :dd
-
-{Fix pour region ID does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix pour region cannot be dynamic} :dt
-
-Only static regions can be used with fix pour. :dd
-
-{Fix pour region does not support a bounding box} :dt
-
-Not all regions represent bounded volumes.  You cannot use
-such a region with the fix pour command. :dd
-
-{Fix pour requires atom attributes radius, rmass} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Fix pour rigid fix does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix pour shake fix does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix press/berendsen damping parameters must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix property/atom cannot specify mol twice} :dt
-
-Self-explanatory. :dd
-
-{Fix property/atom cannot specify q twice} :dt
-
-Self-explanatory. :dd
-
-{Fix property/atom mol when atom_style already has molecule attribute} :dt
-
-Self-explanatory. :dd
-
-{Fix property/atom q when atom_style already has charge attribute} :dt
-
-Self-explanatory. :dd
-
-{Fix property/atom vector name already exists} :dt
-
-The name for an integer or floating-point vector must be unique. :dd
-
-{Fix qeq has negative upper Taper radius cutoff} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/comb group has no atoms} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/comb requires atom attribute q} :dt
-
-An atom style with charge must be used to perform charge equilibration. :dd
-
-{Fix qeq/dynamic group has no atoms} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/dynamic requires atom attribute q} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/fire group has no atoms} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/fire requires atom attribute q} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/point group has no atoms} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/point has insufficient QEq matrix size} :dt
-
-Occurs when number of neighbor atoms for an atom increased too much
-during a run.  Increase SAFE_ZONE and MIN_CAP in fix_qeq.h and
-re-compile. :dd
-
-{Fix qeq/point requires atom attribute q} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/shielded group has no atoms} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/shielded has insufficient QEq matrix size} :dt
-
-Occurs when number of neighbor atoms for an atom increased too much
-during a run.  Increase SAFE_ZONE and MIN_CAP in fix_qeq.h and
-re-compile. :dd
-
-{Fix qeq/shielded requires atom attribute q} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/slater could not extract params from pair coul/streitz} :dt
-
-This should not happen unless pair coul/streitz has been altered. :dd
-
-{Fix qeq/slater group has no atoms} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/slater has insufficient QEq matrix size} :dt
-
-Occurs when number of neighbor atoms for an atom increased too much
-during a run.  Increase SAFE_ZONE and MIN_CAP in fix_qeq.h and
-re-compile. :dd
-
-{Fix qeq/slater requires atom attribute q} :dt
-
-Self-explanatory. :dd
-
-{Fix reax/bonds numbonds > nsbmax_most} :dt
-
-The limit of the number of bonds expected by the ReaxFF force field
-was exceeded. :dd
-
-{Fix recenter group has no atoms} :dt
-
-Self-explanatory. :dd
-
-{Fix restrain requires an atom map, see atom_modify} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid atom has non-zero image flag in a non-periodic dimension} :dt
-
-Image flags for non-periodic dimensions should not be set. :dd
-
-{Fix rigid file has no lines} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid langevin period must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid molecule requires atom attribute molecule} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid npt/nph dilate group ID does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid npt/nph does not yet allow triclinic box} :dt
-
-This is a current restriction in LAMMPS. :dd
-
-{Fix rigid npt/nph period must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid npt/small t_chain should not be less than 1} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid npt/small t_order must be 3 or 5} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid nvt/npt/nph damping parameters must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid nvt/small t_chain should not be less than 1} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid nvt/small t_iter should not be less than 1} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid nvt/small t_order must be 3 or 5} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid xy torque cannot be on for 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid z force cannot be on for 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/npt period must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/npt temperature order must be 3 or 5} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/npt/small period must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/nvt period must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/nvt temperature order must be 3 or 5} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/nvt/small period must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/small atom has non-zero image flag in a non-periodic dimension} :dt
-
-Image flags for non-periodic dimensions should not be set. :dd
-
-{Fix rigid/small langevin period must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/small molecule must have atom types} :dt
-
-The defined molecule does not specify atom types. :dd
-
-{Fix rigid/small molecule must have coordinates} :dt
-
-The defined molecule does not specify coordinates. :dd
-
-{Fix rigid/small npt/nph period must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/small nvt/npt/nph damping parameters must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/small nvt/npt/nph dilate group ID does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/small requires an atom map, see atom_modify} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid/small requires atom attribute molecule} :dt
-
-Self-explanatory. :dd
-
-{Fix rigid: Bad principal moments} :dt
-
-The principal moments of inertia computed for a rigid body
-are not within the required tolerances. :dd
-
-{Fix shake cannot be used with minimization} :dt
-
-Cannot use fix shake while doing an energy minimization since
-it turns off bonds that should contribute to the energy. :dd
-
-{Fix shake molecule template must have shake info} :dt
-
-The defined molecule does not specify SHAKE information. :dd
-
-{Fix spring couple group ID does not exist} :dt
-
-Self-explanatory. :dd
-
-{Fix srd can only currently be used with comm_style brick} :dt
-
-This is a current restriction in LAMMPS. :dd
-
-{Fix srd lamda must be >= 0.6 of SRD grid size} :dt
-
-This is a requirement for accuracy reasons. :dd
-
-{Fix srd no-slip requires atom attribute torque} :dt
-
-This is because the SRD collisions will impart torque to the solute
-particles. :dd
-
-{Fix srd requires SRD particles all have same mass} :dt
-
-Self-explanatory. :dd
-
-{Fix srd requires ghost atoms store velocity} :dt
-
-Use the comm_modify vel yes command to enable this. :dd
-
-{Fix srd requires newton pair on} :dt
-
-Self-explanatory. :dd
-
-{Fix store/state compute array is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix store/state compute does not calculate a per-atom array} :dt
-
-The compute calculates a per-atom vector. :dd
-
-{Fix store/state compute does not calculate a per-atom vector} :dt
-
-The compute calculates a per-atom vector. :dd
-
-{Fix store/state compute does not calculate per-atom values} :dt
-
-Computes that calculate global or local quantities cannot be used
-with fix store/state. :dd
-
-{Fix store/state fix array is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix store/state fix does not calculate a per-atom array} :dt
-
-The fix calculates a per-atom vector. :dd
-
-{Fix store/state fix does not calculate a per-atom vector} :dt
-
-The fix calculates a per-atom array. :dd
-
-{Fix store/state fix does not calculate per-atom values} :dt
-
-Fixes that calculate global or local quantities cannot be used with
-fix store/state. :dd
-
-{Fix store/state for atom property that isn't allocated} :dt
-
-Self-explanatory. :dd
-
-{Fix store/state variable is not atom-style variable} :dt
-
-Only atom-style variables calculate per-atom quantities. :dd
-
-{Fix temp/berendsen period must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix temp/berendsen variable returned negative temperature} :dt
-
-Self-explanatory. :dd
-
-{Fix temp/csld is not compatible with fix rattle or fix shake} :dt
-
-These two commands cannot currently be used together with fix temp/csld. :dd
-
-{Fix temp/csld variable returned negative temperature} :dt
-
-Self-explanatory. :dd
-
-{Fix temp/csvr variable returned negative temperature} :dt
-
-Self-explanatory. :dd
-
-{Fix temp/rescale variable returned negative temperature} :dt
-
-Self-explanatory. :dd
-
-{Fix tfmc displacement length must be > 0} :dt
-
-Self-explanatory. :dd
-
-{Fix tfmc is not compatible with fix shake} :dt
-
-These two commands cannot currently be used together. :dd
-
-{Fix tfmc temperature must be > 0} :dt
-
-Self-explanatory. :dd
-
-{Fix thermal/conductivity swap value must be positive} :dt
-
-Self-explanatory. :dd
-
-{Fix tmd must come after integration fixes} :dt
-
-Any fix tmd command must appear in the input script after all time
-integration fixes (nve, nvt, npt).  See the fix tmd documentation for
-details. :dd
-
-{Fix ttm electron temperatures must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix ttm electronic_density must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix ttm electronic_specific_heat must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix ttm electronic_thermal_conductivity must be >= 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix ttm gamma_p must be > 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix ttm gamma_s must be >= 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix ttm number of nodes must be > 0} :dt
-
-Self-explanatory. :dd
-
-{Fix ttm v_0 must be >= 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix used in compute chunk/atom not computed at compatible time} :dt
-
-The chunk/atom compute cannot query the output of the fix on a timestep
-it is needed. :dd
-
-{Fix used in compute reduce not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  Compute reduce is
-requesting a value on a non-allowed timestep. :dd
-
-{Fix used in compute slice not computed at compatible time} :dt
-
-Fixes generate their values on specific timesteps.  Compute slice is
-requesting a value on a non-allowed timestep. :dd
-
-{Fix vector cannot set output array intensive/extensive from these inputs} :dt
-
-The inputs to the command have conflicting intensive/extensive attributes.
-You need to use more than one fix vector command. :dd
-
-{Fix vector compute does not calculate a scalar} :dt
-
-Self-explanatory. :dd
-
-{Fix vector compute does not calculate a vector} :dt
-
-Self-explanatory. :dd
-
-{Fix vector compute vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix vector fix does not calculate a scalar} :dt
-
-Self-explanatory. :dd
-
-{Fix vector fix does not calculate a vector} :dt
-
-Self-explanatory. :dd
-
-{Fix vector fix vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Fix vector variable is not equal-style variable} :dt
-
-Self-explanatory. :dd
-
-{Fix viscosity swap value must be positive} :dt
-
-Self-explanatory. :dd
-
-{Fix viscosity vtarget value must be positive} :dt
-
-Self-explanatory. :dd
-
-{Fix wall cutoff <= 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix wall/colloid requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Fix wall/colloid requires extended particles} :dt
-
-One of the particles has radius 0.0. :dd
-
-{Fix wall/gran is incompatible with Pair style} :dt
-
-Must use a granular pair style to define the parameters needed for
-this fix. :dd
-
-{Fix wall/gran requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Fix wall/piston command only available at zlo} :dt
-
-The face keyword must be zlo. :dd
-
-{Fix wall/region colloid requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Fix wall/region colloid requires extended particles} :dt
-
-One of the particles has radius 0.0. :dd
-
-{Fix wall/region cutoff <= 0.0} :dt
-
-Self-explanatory. :dd
-
-{Fix_modify pressure ID does not compute pressure} :dt
-
-The compute ID assigned to the fix must compute pressure. :dd
-
-{Fix_modify temperature ID does not compute temperature} :dt
-
-The compute ID assigned to the fix must compute temperature. :dd
-
-{For triclinic deformation, specified target stress must be hydrostatic} :dt
-
-Triclinic pressure control is allowed using the tri keyword, but
-non-hydrostatic pressure control can not be used in this case. :dd
-
-{Found no restart file matching pattern} :dt
-
-When using a "*" in the restart file name, no matching file was found. :dd
-
-{GPU library not compiled for this accelerator} :dt
-
-Self-explanatory. :dd
-
-{GPU package does not (yet) work with atom_style template} :dt
-
-Self-explanatory. :dd
-
-{GPU particle split must be set to 1 for this pair style.} :dt
-
-For this pair style, you cannot run part of the force calculation on
-the host.  See the package command. :dd
-
-{GPUs are requested but Kokkos has not been compiled for CUDA} :dt
-
-Re-compile Kokkos with CUDA support to use GPUs. :dd
-
-{Ghost velocity forward comm not yet implemented with Kokkos} :dt
-
-This is a current restriction. :dd
-
-{Gmask function in equal-style variable formula} :dt
-
-Gmask is per-atom operation. :dd
-
-{Gravity changed since fix pour was created} :dt
-
-The gravity vector defined by fix gravity must be static. :dd
-
-{Gravity must point in -y to use with fix pour in 2d} :dt
-
-Self-explanatory. :dd
-
-{Gravity must point in -z to use with fix pour in 3d} :dt
-
-Self-explanatory. :dd
-
-{Grmask function in equal-style variable formula} :dt
-
-Grmask is per-atom operation. :dd
-
-{Group ID does not exist} :dt
-
-A group ID used in the group command does not exist. :dd
-
-{Group ID in variable formula does not exist} :dt
-
-Self-explanatory. :dd
-
-{Group all cannot be made dynamic} :dt
-
-This operation is not allowed. :dd
-
-{Group command before simulation box is defined} :dt
-
-The group command cannot be used before a read_data, read_restart, or
-create_box command. :dd
-
-{Group dynamic cannot reference itself} :dt
-
-Self-explanatory. :dd
-
-{Group dynamic parent group cannot be dynamic} :dt
-
-Self-explanatory. :dd
-
-{Group dynamic parent group does not exist} :dt
-
-Self-explanatory. :dd
-
-{Group region ID does not exist} :dt
-
-A region ID used in the group command does not exist. :dd
-
-{If read_dump purges it cannot replace or trim} :dt
-
-These operations are not compatible.  See the read_dump doc
-page for details. :dd
-
-{Illegal ... command} :dt
-
-Self-explanatory.  Check the input script syntax and compare to the
-documentation for the command.  You can use -echo screen as a
-command-line option when running LAMMPS to see the offending line. :dd
-
-{Illegal COMB parameter} :dt
-
-One or more of the coefficients defined in the potential file is
-invalid. :dd
-
-{Illegal COMB3 parameter} :dt
-
-One or more of the coefficients defined in the potential file is
-invalid. :dd
-
-{Illegal Stillinger-Weber parameter} :dt
-
-One or more of the coefficients defined in the potential file is
-invalid. :dd
-
-{Illegal Tersoff parameter} :dt
-
-One or more of the coefficients defined in the potential file is
-invalid. :dd
-
-{Illegal Vashishta parameter} :dt
-
-One or more of the coefficients defined in the potential file is
-invalid. :dd
-
-{Illegal compute voronoi/atom command (occupation and (surface or edges))} :dt
-
-Self-explanatory. :dd
-
-{Illegal coul/streitz parameter} :dt
-
-One or more of the coefficients defined in the potential file is
-invalid. :dd
-
-{Illegal dump_modify sfactor value (must be > 0.0)} :dt
-
-Self-explanatory. :dd
-
-{Illegal dump_modify tfactor value (must be > 0.0)} :dt
-
-Self-explanatory. :dd
-
-{Illegal fix gcmc gas mass <= 0} :dt
-
-The computed mass of the designated gas molecule or atom type was less
-than or equal to zero. :dd
-
-{Illegal fix tfmc random seed} :dt
-
-Seeds can only be nonzero positive integers. :dd
-
-{Illegal fix wall/piston velocity} :dt
-
-The piston velocity must be positive. :dd
-
-{Illegal integrate style} :dt
-
-Self-explanatory. :dd
-
-{Illegal nb3b/harmonic parameter} :dt
-
-One or more of the coefficients defined in the potential file is
-invalid. :dd
-
-{Illegal number of angle table entries} :dt
-
-There must be at least 2 table entries. :dd
-
-{Illegal number of bond table entries} :dt
-
-There must be at least 2 table entries. :dd
-
-{Illegal number of pair table entries} :dt
-
-There must be at least 2 table entries. :dd
-
-{Illegal or unset periodicity in restart} :dt
-
-This error should not normally occur unless the restart file is invalid. :dd
-
-{Illegal range increment value} :dt
-
-The increment must be >= 1. :dd
-
-{Illegal simulation box} :dt
-
-The lower bound of the simulation box is greater than the upper bound. :dd
-
-{Illegal size double vector read requested} :dt
-
-This error should not normally occur unless the restart file is invalid. :dd
-
-{Illegal size integer vector read requested} :dt
-
-This error should not normally occur unless the restart file is invalid. :dd
-
-{Illegal size string or corrupt restart} :dt
-
-This error should not normally occur unless the restart file is invalid. :dd
-
-{Imageint setting in lmptype.h is invalid} :dt
-
-Imageint must be as large or larger than smallint. :dd
-
-{Imageint setting in lmptype.h is not compatible} :dt
-
-Format of imageint stored in restart file is not consistent with
-LAMMPS version you are running.  See the settings in src/lmptype.h :dd
-
-{Improper atom missing in delete_bonds} :dt
-
-The delete_bonds command cannot find one or more atoms in a particular
-improper on a particular processor.  The pairwise cutoff is too short
-or the atoms are too far apart to make a valid improper. :dd
-
-{Improper atom missing in set command} :dt
-
-The set command cannot find one or more atoms in a particular improper
-on a particular processor.  The pairwise cutoff is too short or the
-atoms are too far apart to make a valid improper. :dd
-
-{Improper atoms %d %d %d %d missing on proc %d at step %ld} :dt
-
-One or more of 4 atoms needed to compute a particular improper are
-missing on this processor.  Typically this is because the pairwise
-cutoff is set too short or the improper has blown apart and an atom is
-too far away. :dd
-
-{Improper atoms missing on proc %d at step %ld} :dt
-
-One or more of 4 atoms needed to compute a particular improper are
-missing on this processor.  Typically this is because the pairwise
-cutoff is set too short or the improper has blown apart and an atom is
-too far away. :dd
-
-{Improper coeff for hybrid has invalid style} :dt
-
-Improper style hybrid uses another improper style as one of its
-coefficients.  The improper style used in the improper_coeff command
-or read from a restart file is not recognized. :dd
-
-{Improper coeffs are not set} :dt
-
-No improper coefficients have been assigned in the data file or via
-the improper_coeff command. :dd
-
-{Improper style hybrid cannot have hybrid as an argument} :dt
-
-Self-explanatory. :dd
-
-{Improper style hybrid cannot have none as an argument} :dt
-
-Self-explanatory. :dd
-
-{Improper style hybrid cannot use same improper style twice} :dt
-
-Self-explanatory. :dd
-
-{Improper_coeff command before improper_style is defined} :dt
-
-Coefficients cannot be set in the data file or via the improper_coeff
-command until an improper_style has been assigned. :dd
-
-{Improper_coeff command before simulation box is defined} :dt
-
-The improper_coeff command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{Improper_coeff command when no impropers allowed} :dt
-
-The chosen atom style does not allow for impropers to be defined. :dd
-
-{Improper_style command when no impropers allowed} :dt
-
-The chosen atom style does not allow for impropers to be defined. :dd
-
-{Impropers assigned incorrectly} :dt
-
-Impropers read in from the data file were not assigned correctly to
-atoms.  This means there is something invalid about the topology
-definitions. :dd
-
-{Impropers defined but no improper types} :dt
-
-The data file header lists improper but no improper types. :dd
-
-{Incompatible KIM Simulator Model} :dt
-
-The requested KIM Simulator Model was defined for a different MD code
-and thus is not compatible with LAMMPS. :dd
-
-{Incompatible units for KIM Simulator Model} :dt
-
-The selected unit style is not compatible with the requested KIM
-Simulator Model. :dd
-
-{Incomplete use of variables in create_atoms command} :dt
-
-The var and set options must be used together. :dd
-
-{Inconsistent iparam/jparam values in fix bond/create command} :dt
-
-If itype and jtype are the same, then their maxbond and newtype
-settings must also be the same. :dd
-
-{Inconsistent line segment in data file} :dt
-
-The end points of the line segment are not equal distances from the
-center point which is the atom coordinate. :dd
-
-{Inconsistent triangle in data file} :dt
-
-The centroid of the triangle as defined by the corner points is not
-the atom coordinate. :dd
-
-{Inconsistent use of finite-size particles by molecule template molecules} :dt
-
-Not all of the molecules define a radius for their constituent
-particles. :dd
-
-{Incorrect # of floating-point values in Bodies section of data file} :dt
-
-See doc page for body style. :dd
-
-{Incorrect # of integer values in Bodies section of data file} :dt
-
-See doc page for body style. :dd
-
-{Incorrect %s format in data file} :dt
-
-A section of the data file being read by fix property/atom does
-not have the correct number of values per line. :dd
-
-{Incorrect SNAP parameter file} :dt
-
-The file cannot be parsed correctly, check its internal syntax. :dd
-
-{Incorrect args for angle coefficients} :dt
-
-Self-explanatory.  Check the input script or data file. :dd
-
-{Incorrect args for bond coefficients} :dt
-
-Self-explanatory.  Check the input script or data file. :dd
-
-{Incorrect args for dihedral coefficients} :dt
-
-Self-explanatory.  Check the input script or data file. :dd
-
-{Incorrect args for improper coefficients} :dt
-
-Self-explanatory.  Check the input script or data file. :dd
-
-{Incorrect args for pair coefficients} :dt
-
-Self-explanatory.  Check the input script or data file. :dd
-
-{Incorrect args in pair_style command} :dt
-
-Self-explanatory. :dd
-
-{Incorrect atom format in data file} :dt
-
-Number of values per atom line in the data file is not consistent with
-the atom style. :dd
-
-{Incorrect atom format in neb file} :dt
-
-The number of fields per line is not what expected. :dd
-
-{Incorrect bonus data format in data file} :dt
-
-See the read_data doc page for a description of how various kinds of
-bonus data must be formatted for certain atom styles. :dd
-
-{Incorrect boundaries with slab Ewald} :dt
-
-Must have periodic x,y dimensions and non-periodic z dimension to use
-2d slab option with Ewald. :dd
-
-{Incorrect boundaries with slab EwaldDisp} :dt
-
-Must have periodic x,y dimensions and non-periodic z dimension to use
-2d slab option with Ewald. :dd
-
-{Incorrect boundaries with slab PPPM} :dt
-
-Must have periodic x,y dimensions and non-periodic z dimension to use
-2d slab option with PPPM. :dd
-
-{Incorrect boundaries with slab PPPMDisp} :dt
-
-Must have periodic x,y dimensions and non-periodic z dimension to use
-2d slab option with pppm/disp. :dd
-
-{Incorrect conversion in format string} :dt
-
-A format style variable was not using either a %f, a %g, or a %e conversion.
-Or an immediate variable with format suffix was not using either
-a %f, a %g or a %e conversion in the format suffix. :dd
-
-{Incorrect element names in ADP potential file} :dt
-
-The element names in the ADP file do not match those requested. :dd
-
-{Incorrect element names in EAM potential file} :dt
-
-The element names in the EAM file do not match those requested. :dd
-
-{Incorrect format of ... section in data file} :dt
-
-Number or type of values per line in the given section of the data file
-is not consistent with the requirements for this section. :dd
-
-{Incorrect format in COMB potential file} :dt
-
-Incorrect number of words per line in the potential file. :dd
-
-{Incorrect format in COMB3 potential file} :dt
-
-Incorrect number of words per line in the potential file. :dd
-
-{Incorrect format in MEAM potential file} :dt
-
-Incorrect number of words per line in the potential file. :dd
-
-{Incorrect format in SNAP coefficient file} :dt
-
-Incorrect number of words per line in the coefficient file. :dd
-
-{Incorrect format in SNAP parameter file} :dt
-
-Incorrect number of words per line in the parameter file. :dd
-
-{Incorrect format in Stillinger-Weber potential file} :dt
-
-Incorrect number of words per line in the potential file. :dd
-
-{Incorrect format in TMD target file} :dt
-
-Format of file read by fix tmd command is incorrect. :dd
-
-{Incorrect format in Tersoff potential file} :dt
-
-Incorrect number of words per line in the potential file. :dd
-
-{Incorrect format in Vashishta potential file} :dt
-
-Incorrect number of words per line in the potential file. :dd
-
-{Incorrect format in coul/streitz potential file} :dt
-
-Incorrect number of words per line in the potential file. :dd
-
-{Incorrect format in nb3b/harmonic potential file} :dt
-
-Incorrect number of words per line in the potential file. :dd
-
-{Incorrect integer value in Bodies section of data file} :dt
-
-See doc page for body style. :dd
-
-{Incorrect multiplicity arg for dihedral coefficients} :dt
-
-Self-explanatory.  Check the input script or data file. :dd
-
-{Incorrect number of elements in potential file} :dt
-
-Self-explanatory. :dd
-
-{Incorrect rigid body format in fix rigid file} :dt
-
-The number of fields per line is not what expected. :dd
-
-{Incorrect rigid body format in fix rigid/small file} :dt
-
-The number of fields per line is not what expected. :dd
-
-{Incorrect sign arg for dihedral coefficients} :dt
-
-Self-explanatory.  Check the input script or data file. :dd
-
-{Incorrect table format check for element types} :dt
-
-Self-explanatory. :dd
-
-{Incorrect velocity format in data file} :dt
-
-Each atom style defines a format for the Velocity section
-of the data file.  The read-in lines do not match. :dd
-
-{Incorrect weight arg for dihedral coefficients} :dt
-
-Self-explanatory.  Check the input script or data file. :dd
-
-{Index between variable brackets must be positive} :dt
-
-Self-explanatory. :dd
-
-{Indexed per-atom vector in variable formula without atom map} :dt
-
-Accessing a value from an atom vector requires the ability to lookup
-an atom index, which is provided by an atom map.  An atom map does not
-exist (by default) for non-molecular problems.  Using the atom_modify
-map command will force an atom map to be created. :dd
-
-{Initial temperatures not all set in fix ttm} :dt
-
-Self-explanatory. :dd
-
-{Input line quote not followed by white-space} :dt
-
-An end quote must be followed by white-space. :dd
-
-{Insertion region extends outside simulation box} :dt
-
-Self-explanatory. :dd
-
-{Insufficient Jacobi rotations for POEMS body} :dt
-
-Eigensolve for rigid body was not sufficiently accurate. :dd
-
-{Insufficient Jacobi rotations for body nparticle} :dt
-
-Eigensolve for rigid body was not sufficiently accurate. :dd
-
-{Insufficient Jacobi rotations for rigid body} :dt
-
-Eigensolve for rigid body was not sufficiently accurate. :dd
-
-{Insufficient Jacobi rotations for rigid molecule} :dt
-
-Eigensolve for rigid body was not sufficiently accurate. :dd
-
-{Insufficient Jacobi rotations for triangle} :dt
-
-The calculation of the inertia tensor of the triangle failed.  This
-should not happen if it is a reasonably shaped triangle. :dd
-
-{Insufficient memory on accelerator} :dt
-
-There is insufficient memory on one of the devices specified for the gpu
-package :dd
-
-{Internal error in atom_style body} :dt
-
-This error should not occur.  Contact the developers. :dd
-
-{Invalid -reorder N value} :dt
-
-Self-explanatory. :dd
-
-{Invalid Angles section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid Bonds section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid Boolean syntax in if command} :dt
-
-Self-explanatory. :dd
-
-{Invalid Charges section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid Coords section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid Diameters section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid Dihedrals section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid Impropers section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid Kokkos command-line args} :dt
-
-Self-explanatory.  See Section 2.7 of the manual for details. :dd
-
-{Invalid LAMMPS restart file} :dt
-
-The file does not appear to be a LAMMPS restart file since
-it doesn't contain the correct magic string at the beginning. :dd
-
-{Invalid Masses section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid REAX atom type} :dt
-
-There is a mis-match between LAMMPS atom types and the elements
-listed in the ReaxFF force field file. :dd
-
-{Invalid Special Bond Counts section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid Types section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid angle count in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid angle table length} :dt
-
-Length must be 2 or greater. :dd
-
-{Invalid angle type in Angles section of data file} :dt
-
-Angle type must be positive integer and within range of specified angle
-types. :dd
-
-{Invalid angle type in Angles section of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid angle type index for fix shake} :dt
-
-Self-explanatory. :dd
-
-{Invalid args for non-hybrid pair coefficients} :dt
-
-"NULL" is only supported in pair_coeff calls when using pair hybrid :dd
-
-{Invalid argument to factorial %d} :dt
-
-N must be >= 0 and <= 167, otherwise the factorial result is too
-large. :dd
-
-{Invalid atom ID in %s section of data file} :dt
-
-An atom in a section of the data file being read by fix property/atom
-has an invalid atom ID that is <= 0 or > the maximum existing atom ID. :dd
-
-{Invalid atom ID in Angles section of data file} :dt
-
-Atom IDs must be positive integers and within range of defined
-atoms. :dd
-
-{Invalid atom ID in Angles section of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid atom ID in Atoms section of data file} :dt
-
-Atom IDs must be positive integers. :dd
-
-{Invalid atom ID in Bodies section of data file} :dt
-
-Atom IDs must be positive integers and within range of defined
-atoms. :dd
-
-{Invalid atom ID in Bonds section of data file} :dt
-
-Atom IDs must be positive integers and within range of defined
-atoms. :dd
-
-{Invalid atom ID in Bonds section of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid atom ID in Bonus section of data file} :dt
-
-Atom IDs must be positive integers and within range of defined
-atoms. :dd
-
-{Invalid atom ID in Dihedrals section of data file} :dt
-
-Atom IDs must be positive integers and within range of defined
-atoms. :dd
-
-{Invalid atom ID in Impropers section of data file} :dt
-
-Atom IDs must be positive integers and within range of defined
-atoms. :dd
-
-{Invalid atom ID in Velocities section of data file} :dt
-
-Atom IDs must be positive integers and within range of defined
-atoms. :dd
-
-{Invalid atom ID in dihedrals section of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid atom ID in impropers section of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid atom ID in variable file} :dt
-
-Self-explanatory. :dd
-
-{Invalid atom IDs in neb file} :dt
-
-An ID in the file was not found in the system. :dd
-
-{Invalid atom diameter in molecule file} :dt
-
-Diameters must be >= 0.0. :dd
-
-{Invalid atom mass for fix shake} :dt
-
-Mass specified in fix shake command must be > 0.0. :dd
-
-{Invalid atom mass in molecule file} :dt
-
-Masses must be > 0.0. :dd
-
-{Invalid atom type in Atoms section of data file} :dt
-
-Atom types must range from 1 to specified # of types. :dd
-
-{Invalid atom type in create_atoms command} :dt
-
-The create_box command specified the range of valid atom types.
-An invalid type is being requested. :dd
-
-{Invalid atom type in create_atoms mol command} :dt
-
-The atom types in the defined molecule are added to the value
-specified in the create_atoms command, as an offset.  The final value
-for each atom must be between 1 to N, where N is the number of atom
-types. :dd
-
-{Invalid atom type in fix atom/swap command} :dt
-
-The atom type specified in the atom/swap command does not exist. :dd
-
-{Invalid atom type in fix bond/create command} :dt
-
-Self-explanatory. :dd
-
-{Invalid atom type in fix deposit command} :dt
-
-Self-explanatory. :dd
-
-{Invalid atom type in fix deposit mol command} :dt
-
-The atom types in the defined molecule are added to the value
-specified in the create_atoms command, as an offset.  The final value
-for each atom must be between 1 to N, where N is the number of atom
-types. :dd
-
-{Invalid atom type in fix gcmc command} :dt
-
-The atom type specified in the gcmc command does not exist. :dd
-
-{Invalid atom type in fix pour command} :dt
-
-Self-explanatory. :dd
-
-{Invalid atom type in fix pour mol command} :dt
-
-The atom types in the defined molecule are added to the value
-specified in the create_atoms command, as an offset.  The final value
-for each atom must be between 1 to N, where N is the number of atom
-types. :dd
-
-{Invalid atom type in molecule file} :dt
-
-Atom types must range from 1 to specified # of types. :dd
-
-{Invalid atom type in neighbor exclusion list} :dt
-
-Atom types must range from 1 to Ntypes inclusive. :dd
-
-{Invalid atom type index for fix shake} :dt
-
-Atom types must range from 1 to Ntypes inclusive. :dd
-
-{Invalid atom types in pair_write command} :dt
-
-Atom types must range from 1 to Ntypes inclusive. :dd
-
-{Invalid atom vector in variable formula} :dt
-
-The atom vector is not recognized. :dd
-
-{Invalid atom_style body command} :dt
-
-No body style argument was provided. :dd
-
-{Invalid atom_style command} :dt
-
-Self-explanatory. :dd
-
-{Invalid attribute in dump custom command} :dt
-
-Self-explanatory. :dd
-
-{Invalid attribute in dump local command} :dt
-
-Self-explanatory. :dd
-
-{Invalid attribute in dump modify command} :dt
-
-Self-explanatory. :dd
-
-{Invalid basis setting in create_atoms command} :dt
-
-The basis index must be between 1 to N where N is the number of basis
-atoms in the lattice.  The type index must be between 1 to N where N
-is the number of atom types. :dd
-
-{Invalid basis setting in fix append/atoms command} :dt
-
-The basis index must be between 1 to N where N is the number of basis
-atoms in the lattice.  The type index must be between 1 to N where N
-is the number of atom types. :dd
-
-{Invalid bin bounds in compute chunk/atom} :dt
-
-The lo/hi values are inconsistent. :dd
-
-{Invalid bin bounds in fix ave/spatial} :dt
-
-The lo/hi values are inconsistent. :dd
-
-{Invalid body nparticle command} :dt
-
-Arguments in atom-style command are not correct. :dd
-
-{Invalid bond count in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid bond table length} :dt
-
-Length must be 2 or greater. :dd
-
-{Invalid bond type in Bonds section of data file} :dt
-
-Bond type must be positive integer and within range of specified bond
-types. :dd
-
-{Invalid bond type in Bonds section of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid bond type in create_bonds command} :dt
-
-Self-explanatory. :dd
-
-{Invalid bond type in fix bond/break command} :dt
-
-Self-explanatory. :dd
-
-{Invalid bond type in fix bond/create command} :dt
-
-Self-explanatory. :dd
-
-{Invalid bond type index for fix shake} :dt
-
-Self-explanatory.  Check the fix shake command in the input script. :dd
-
-{Invalid coeffs for this dihedral style} :dt
-
-Cannot set class 2 coeffs in data file for this dihedral style. :dd
-
-{Invalid color in dump_modify command} :dt
-
-The specified color name was not in the list of recognized colors.
-See the dump_modify doc page. :dd
-
-{Invalid color map min/max values} :dt
-
-The min/max values are not consistent with either each other or
-with values in the color map. :dd
-
-{Invalid command-line argument} :dt
-
-One or more command-line arguments is invalid.  Check the syntax of
-the command you are using to launch LAMMPS. :dd
-
-{Invalid compute ID in variable formula} :dt
-
-The compute is not recognized. :dd
-
-{Invalid create_atoms rotation vector for 2d model} :dt
-
-The rotation vector can only have a z component. :dd
-
-{Invalid custom OpenCL parameter string.} :dt
-
-There are not enough or too many parameters in the custom string for package
-GPU. :dd
-
-{Invalid cutoff in comm_modify command} :dt
-
-Specified cutoff must be >= 0.0. :dd
-
-{Invalid cutoffs in pair_write command} :dt
-
-Inner cutoff must be larger than 0.0 and less than outer cutoff. :dd
-
-{Invalid d1 or d2 value for pair colloid coeff} :dt
-
-Neither d1 or d2 can be < 0. :dd
-
-{Invalid data file section: Angle Coeffs} :dt
-
-Atom style does not allow angles. :dd
-
-{Invalid data file section: AngleAngle Coeffs} :dt
-
-Atom style does not allow impropers. :dd
-
-{Invalid data file section: AngleAngleTorsion Coeffs} :dt
-
-Atom style does not allow dihedrals. :dd
-
-{Invalid data file section: AngleTorsion Coeffs} :dt
-
-Atom style does not allow dihedrals. :dd
-
-{Invalid data file section: Angles} :dt
-
-Atom style does not allow angles. :dd
-
-{Invalid data file section: Bodies} :dt
-
-Atom style does not allow bodies. :dd
-
-{Invalid data file section: Bond Coeffs} :dt
-
-Atom style does not allow bonds. :dd
-
-{Invalid data file section: BondAngle Coeffs} :dt
-
-Atom style does not allow angles. :dd
-
-{Invalid data file section: BondBond Coeffs} :dt
-
-Atom style does not allow angles. :dd
-
-{Invalid data file section: BondBond13 Coeffs} :dt
-
-Atom style does not allow dihedrals. :dd
-
-{Invalid data file section: Bonds} :dt
-
-Atom style does not allow bonds. :dd
-
-{Invalid data file section: Dihedral Coeffs} :dt
-
-Atom style does not allow dihedrals. :dd
-
-{Invalid data file section: Dihedrals} :dt
-
-Atom style does not allow dihedrals. :dd
-
-{Invalid data file section: Ellipsoids} :dt
-
-Atom style does not allow ellipsoids. :dd
-
-{Invalid data file section: EndBondTorsion Coeffs} :dt
-
-Atom style does not allow dihedrals. :dd
-
-{Invalid data file section: Improper Coeffs} :dt
-
-Atom style does not allow impropers. :dd
-
-{Invalid data file section: Impropers} :dt
-
-Atom style does not allow impropers. :dd
-
-{Invalid data file section: Lines} :dt
-
-Atom style does not allow lines. :dd
-
-{Invalid data file section: MiddleBondTorsion Coeffs} :dt
-
-Atom style does not allow dihedrals. :dd
-
-{Invalid data file section: Triangles} :dt
-
-Atom style does not allow triangles. :dd
-
-{Invalid delta_conf in tad command} :dt
-
-The value must be between 0 and 1 inclusive. :dd
-
-{Invalid density in Atoms section of data file} :dt
-
-Density value cannot be <= 0.0. :dd
-
-{Invalid density in set command} :dt
-
-Density must be > 0.0. :dd
-
-{Invalid diameter in set command} :dt
-
-Self-explanatory. :dd
-
-{Invalid dihedral count in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid dihedral type in Dihedrals section of data file} :dt
-
-Dihedral type must be positive integer and within range of specified
-dihedral types. :dd
-
-{Invalid dihedral type in dihedrals section of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid dipole length in set command} :dt
-
-Self-explanatory. :dd
-
-{Invalid displace_atoms rotate axis for 2d} :dt
-
-Axis must be in z direction. :dd
-
-{Invalid dump dcd filename} :dt
-
-Filenames used with the dump dcd style cannot be binary or compressed
-or cause multiple files to be written. :dd
-
-{Invalid dump frequency} :dt
-
-Dump frequency must be 1 or greater. :dd
-
-{Invalid dump image element name} :dt
-
-The specified element name was not in the standard list of elements.
-See the dump_modify doc page. :dd
-
-{Invalid dump image filename} :dt
-
-The file produced by dump image cannot be binary and must
-be for a single processor. :dd
-
-{Invalid dump image persp value} :dt
-
-Persp value must be >= 0.0. :dd
-
-{Invalid dump image theta value} :dt
-
-Theta must be between 0.0 and 180.0 inclusive. :dd
-
-{Invalid dump image zoom value} :dt
-
-Zoom value must be > 0.0. :dd
-
-{Invalid dump movie filename} :dt
-
-The file produced by dump movie cannot be binary or compressed
-and must be a single file for a single processor. :dd
-
-{Invalid dump xtc filename} :dt
-
-Filenames used with the dump xtc style cannot be binary or compressed
-or cause multiple files to be written. :dd
-
-{Invalid dump xyz filename} :dt
-
-Filenames used with the dump xyz style cannot be binary or cause files
-to be written by each processor. :dd
-
-{Invalid dump_modify threshold operator} :dt
-
-Operator keyword used for threshold specification in not recognized. :dd
-
-{Invalid entry in -reorder file} :dt
-
-Self-explanatory. :dd
-
-{Invalid fix ID in variable formula} :dt
-
-The fix is not recognized. :dd
-
-{Invalid fix ave/time off column} :dt
-
-Self-explanatory. :dd
-
-{Invalid fix box/relax command for a 2d simulation} :dt
-
-Fix box/relax styles involving the z dimension cannot be used in
-a 2d simulation. :dd
-
-{Invalid fix box/relax command pressure settings} :dt
-
-If multiple dimensions are coupled, those dimensions must be specified. :dd
-
-{Invalid fix box/relax pressure settings} :dt
-
-Settings for coupled dimensions must be the same. :dd
-
-{Invalid fix nvt/npt/nph command for a 2d simulation} :dt
-
-Cannot control z dimension in a 2d model. :dd
-
-{Invalid fix nvt/npt/nph command pressure settings} :dt
-
-If multiple dimensions are coupled, those dimensions must be
-specified. :dd
-
-{Invalid fix nvt/npt/nph pressure settings} :dt
-
-Settings for coupled dimensions must be the same. :dd
-
-{Invalid fix press/berendsen for a 2d simulation} :dt
-
-The z component of pressure cannot be controlled for a 2d model. :dd
-
-{Invalid fix press/berendsen pressure settings} :dt
-
-Settings for coupled dimensions must be the same. :dd
-
-{Invalid fix qeq parameter file} :dt
-
-Element index > number of atom types. :dd
-
-{Invalid fix rigid npt/nph command for a 2d simulation} :dt
-
-Cannot control z dimension in a 2d model. :dd
-
-{Invalid fix rigid npt/nph command pressure settings} :dt
-
-If multiple dimensions are coupled, those dimensions must be
-specified. :dd
-
-{Invalid fix rigid/small npt/nph command for a 2d simulation} :dt
-
-Cannot control z dimension in a 2d model. :dd
-
-{Invalid fix rigid/small npt/nph command pressure settings} :dt
-
-If multiple dimensions are coupled, those dimensions must be
-specified. :dd
-
-{Invalid flag in force field section of restart file} :dt
-
-Unrecognized entry in restart file. :dd
-
-{Invalid flag in header section of restart file} :dt
-
-Unrecognized entry in restart file. :dd
-
-{Invalid flag in peratom section of restart file} :dt
-
-The format of this section of the file is not correct. :dd
-
-{Invalid flag in type arrays section of restart file} :dt
-
-Unrecognized entry in restart file. :dd
-
-{Invalid frequency in temper command} :dt
-
-Nevery must be > 0. :dd
-
-{Invalid group ID in neigh_modify command} :dt
-
-A group ID used in the neigh_modify command does not exist. :dd
-
-{Invalid group function in variable formula} :dt
-
-Group function is not recognized. :dd
-
-{Invalid group in comm_modify command} :dt
-
-Self-explanatory. :dd
-
-{Invalid image up vector} :dt
-
-Up vector cannot be (0,0,0). :dd
-
-{Invalid immediate variable} :dt
-
-Syntax of immediate value is incorrect. :dd
-
-{Invalid improper count in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid improper type in Impropers section of data file} :dt
-
-Improper type must be positive integer and within range of specified
-improper types. :dd
-
-{Invalid improper type in impropers section of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid index for non-body particles in compute body/local command} :dt
-
-Only indices 1,2,3 can be used for non-body particles. :dd
-
-{Invalid index in compute body/local command} :dt
-
-Self-explanatory. :dd
-
-{Invalid is_active() function in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Invalid is_available() function in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Invalid is_defined() function in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in angle table parameters} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in bond table parameters} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in compute angle/local command} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in compute bond/local command} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in compute dihedral/local command} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in compute improper/local command} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in compute pair/local command} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in compute property/atom command} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in compute property/chunk command} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in compute property/local command} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in dump cfg command} :dt
-
-Self-explanatory. :dd
-
-{Invalid keyword in pair table parameters} :dt
-
-Keyword used in list of table parameters is not recognized. :dd
-
-{Invalid length in set command} :dt
-
-Self-explanatory. :dd
-
-{Invalid mass in set command} :dt
-
-Self-explanatory. :dd
-
-{Invalid mass line in data file} :dt
-
-Self-explanatory. :dd
-
-{Invalid mass value} :dt
-
-Self-explanatory. :dd
-
-{Invalid math function in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Invalid math/group/special function in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Invalid option in lattice command for non-custom style} :dt
-
-Certain lattice keywords are not supported unless the
-lattice style is "custom". :dd
-
-{Invalid order of forces within respa levels} :dt
-
-For respa, ordering of force computations within respa levels must
-obey certain rules.  E.g. bonds cannot be compute less frequently than
-angles, pairwise forces cannot be computed less frequently than
-kspace, etc. :dd
-
-{Invalid pair table cutoff} :dt
-
-Cutoffs in pair_coeff command are not valid with read-in pair table. :dd
-
-{Invalid pair table length} :dt
-
-Length of read-in pair table is invalid :dd
-
-{Invalid param file for fix qeq/shielded} :dt
-
-Invalid value of gamma. :dd
-
-{Invalid param file for fix qeq/slater} :dt
-
-Zeta value is 0.0. :dd
-
-{Invalid partitions in processors part command} :dt
-
-Valid partitions are numbered 1 to N and the sender and receiver
-cannot be the same partition. :dd
-
-{Invalid python command} :dt
-
-Self-explanatory.  Check the input script syntax and compare to the
-documentation for the command.  You can use -echo screen as a
-command-line option when running LAMMPS to see the offending line. :dd
-
-{Invalid radius in Atoms section of data file} :dt
-
-Radius must be >= 0.0. :dd
-
-{Invalid random number seed in fix ttm command} :dt
-
-Random number seed must be > 0. :dd
-
-{Invalid random number seed in set command} :dt
-
-Random number seed must be > 0. :dd
-
-{Invalid replace values in compute reduce} :dt
-
-Self-explanatory. :dd
-
-{Invalid rigid body ID in fix rigid file} :dt
-
-The ID does not match the number of an existing ID of rigid bodies
-that are defined by the fix rigid command. :dd
-
-{Invalid rigid body ID in fix rigid/small file} :dt
-
-The ID does not match the number of an existing ID of rigid bodies
-that are defined by the fix rigid/small command. :dd
-
-{Invalid run command N value} :dt
-
-The number of timesteps must fit in a 32-bit integer.  If you want to
-run for more steps than this, perform multiple shorter runs. :dd
-
-{Invalid run command start/stop value} :dt
-
-Self-explanatory. :dd
-
-{Invalid run command upto value} :dt
-
-Self-explanatory. :dd
-
-{Invalid seed for Marsaglia random # generator} :dt
-
-The initial seed for this random number generator must be a positive
-integer less than or equal to 900 million. :dd
-
-{Invalid seed for Park random # generator} :dt
-
-The initial seed for this random number generator must be a positive
-integer. :dd
-
-{Invalid shake angle type in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid shake atom in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid shake bond type in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid shake flag in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid shape in Ellipsoids section of data file} :dt
-
-Self-explanatory. :dd
-
-{Invalid shape in Triangles section of data file} :dt
-
-Two or more of the triangle corners are duplicate points. :dd
-
-{Invalid shape in set command} :dt
-
-Self-explanatory. :dd
-
-{Invalid shear direction for fix wall/gran} :dt
-
-Self-explanatory. :dd
-
-{Invalid special atom index in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Invalid special function in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Invalid style in pair_write command} :dt
-
-Self-explanatory.  Check the input script. :dd
-
-{Invalid syntax in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Invalid t_event in prd command} :dt
-
-Self-explanatory. :dd
-
-{Invalid t_event in tad command} :dt
-
-The value must be greater than 0. :dd
-
-{Invalid template atom in Atoms section of data file} :dt
-
-The atom indices must be between 1 to N, where N is the number of
-atoms in the template molecule the atom belongs to. :dd
-
-{Invalid template index in Atoms section of data file} :dt
-
-The template indices must be between 1 to N, where N is the number of
-molecules in the template. :dd
-
-{Invalid thermo keyword in variable formula} :dt
-
-The keyword is not recognized. :dd
-
-{Invalid threads_per_atom specified.} :dt
-
-For 3-body potentials on the GPU, the threads_per_atom setting cannot be
-greater than 4 for NVIDIA GPUs. :dd
-
-{Invalid timestep reset for fix ave/atom} :dt
-
-Resetting the timestep has invalidated the sequence of timesteps this
-fix needs to process. :dd
-
-{Invalid timestep reset for fix ave/chunk} :dt
-
-Resetting the timestep has invalidated the sequence of timesteps this
-fix needs to process. :dd
-
-{Invalid timestep reset for fix ave/correlate} :dt
-
-Resetting the timestep has invalidated the sequence of timesteps this
-fix needs to process. :dd
-
-{Invalid timestep reset for fix ave/histo} :dt
-
-Resetting the timestep has invalidated the sequence of timesteps this
-fix needs to process. :dd
-
-{Invalid timestep reset for fix ave/spatial} :dt
-
-Resetting the timestep has invalidated the sequence of timesteps this
-fix needs to process. :dd
-
-{Invalid timestep reset for fix ave/time} :dt
-
-Resetting the timestep has invalidated the sequence of timesteps this
-fix needs to process. :dd
-
-{Invalid tmax in tad command} :dt
-
-The value must be greater than 0.0. :dd
-
-{Invalid type for mass set} :dt
-
-Mass command must set a type from 1-N where N is the number of atom
-types. :dd
-
-{Invalid use of library file() function} :dt
-
-This function is called through the library interface.  This
-error should not occur.  Contact the developers if it does. :dd
-
-{Invalid value in set command} :dt
-
-The value specified for the setting is invalid, likely because it is
-too small or too large. :dd
-
-{Invalid variable evaluation in variable formula} :dt
-
-A variable used in a formula could not be evaluated. :dd
-
-{Invalid variable in next command} :dt
-
-Self-explanatory. :dd
-
-{Invalid variable name} :dt
-
-Variable name used in an input script line is invalid. :dd
-
-{Invalid variable name in variable formula} :dt
-
-Variable name is not recognized. :dd
-
-{Invalid variable style in special function next} :dt
-
-Only file-style or atomfile-style variables can be used with next(). :dd
-
-{Invalid variable style with next command} :dt
-
-Variable styles {equal} and {world} cannot be used in a next
-command. :dd
-
-{Invalid volume in set command} :dt
-
-Volume must be > 0.0. :dd
-
-{Invalid wiggle direction for fix wall/gran} :dt
-
-Self-explanatory. :dd
-
-{Invoked angle equil angle on angle style none} :dt
-
-Self-explanatory. :dd
-
-{Invoked angle single on angle style none} :dt
-
-Self-explanatory. :dd
-
-{Invoked bond equil distance on bond style none} :dt
-
-Self-explanatory. :dd
-
-{Invoked bond single on bond style none} :dt
-
-Self-explanatory. :dd
-
-{Invoked pair single on pair style none} :dt
-
-A command (e.g. a dump) attempted to invoke the single() function on a
-pair style none, which is illegal.  You are probably attempting to
-compute per-atom quantities with an undefined pair style. :dd
-
-{Invoking coulombic in pair style lj/coul requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Invoking coulombic in pair style lj/long/dipole/long requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{KIM Simulator Model has no Model definition} :dt
-
-There is no model definition (key: model-defn) in the KIM Simulator
-Model.  Please contact the OpenKIM database maintainers to verify
-and potentially correct this. :dd
-
-{KOKKOS package does not yet support comm_style tiled} :dt
-
-Self-explanatory. :dd
-
-{KOKKOS package requires a kokkos enabled atom_style} :dt
-
-Self-explanatory. :dd
-
-{KSpace accuracy must be > 0} :dt
-
-The kspace accuracy designated in the input must be greater than zero. :dd
-
-{KSpace accuracy too large to estimate G vector} :dt
-
-Reduce the accuracy request or specify gewald explicitly
-via the kspace_modify command. :dd
-
-{KSpace accuracy too low} :dt
-
-Requested accuracy must be less than 1.0. :dd
-
-{KSpace solver requires a pair style} :dt
-
-No pair style is defined. :dd
-
-{KSpace style does not yet support triclinic geometries} :dt
-
-The specified kspace style does not allow for non-orthogonal
-simulation boxes. :dd
-
-{KSpace style has not yet been set} :dt
-
-Cannot use kspace_modify command until a kspace style is set. :dd
-
-{KSpace style is incompatible with Pair style} :dt
-
-Setting a kspace style requires that a pair style with matching
-long-range Coulombic or dispersion components be used. :dd
-
-{Keyword %s in MEAM parameter file not recognized} :dt
-
-Self-explanatory. :dd
-
-{Kokkos has been compiled for CUDA but no GPUs are requested} :dt
-
-One or more GPUs must be used when Kokkos is compiled for CUDA. :dd
-
-{Kspace_modify mesh parameter must be all zero or all positive} :dt
-
-Valid kspace mesh parameters are >0. The code will try to auto-detect
-suitable values when all three mesh sizes are set to zero (the default). :dd
-
-{Kspace_modify mesh/disp parameter must be all zero or all positive} :dt
-
-Valid kspace mesh/disp parameters are >0. The code will try to auto-detect
-suitable values when all three mesh sizes are set to zero [and]
-the required accuracy via {force/disp/real} as well as
-{force/disp/kspace} is set. :dd
-
-{Kspace style does not support compute group/group} :dt
-
-Self-explanatory. :dd
-
-{Kspace style pppm/disp/tip4p requires newton on} :dt
-
-Self-explanatory. :dd
-
-{Kspace style pppm/tip4p requires newton on} :dt
-
-Self-explanatory. :dd
-
-{Kspace style requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Kspace_modify eigtol must be smaller than one} :dt
-
-Self-explanatory. :dd
-
-{LAMMPS is not built with Python embedded} :dt
-
-This is done by including the PYTHON package before LAMMPS is built.
-This is required to use python-style variables. :dd
-
-{LAMMPS unit_style lj not supported by KIM models} :dt
-
-Self-explanatory. Check the input script or data file. :dd
-
-{LJ6 off not supported in pair_style buck/long/coul/long} :dt
-
-Self-explanatory. :dd
-
-{Label wasn't found in input script} :dt
-
-Self-explanatory. :dd
-
-{Lattice orient vectors are not orthogonal} :dt
-
-The three specified lattice orientation vectors must be mutually
-orthogonal. :dd
-
-{Lattice orient vectors are not right-handed} :dt
-
-The three specified lattice orientation vectors must create a
-right-handed coordinate system such that a1 cross a2 = a3. :dd
-
-{Lattice primitive vectors are collinear} :dt
-
-The specified lattice primitive vectors do not for a unit cell with
-non-zero volume. :dd
-
-{Lattice settings are not compatible with 2d simulation} :dt
-
-One or more of the specified lattice vectors has a non-zero z
-component. :dd
-
-{Lattice spacings are invalid} :dt
-
-Each x,y,z spacing must be > 0. :dd
-
-{Lattice style incompatible with simulation dimension} :dt
-
-2d simulation can use sq, sq2, or hex lattice.  3d simulation can use
-sc, bcc, or fcc lattice. :dd
-
-{Log of zero/negative value in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Lost atoms via balance: original %ld current %ld} :dt
-
-This should not occur.  Report the problem to the developers. :dd
-
-{Lost atoms: original %ld current %ld} :dt
-
-Lost atoms are checked for each time thermo output is done.  See the
-thermo_modify lost command for options.  Lost atoms usually indicate
-bad dynamics, e.g. atoms have been blown far out of the simulation
-box, or moved further than one processor's sub-domain away before
-reneighboring. :dd
-
-{MEAM library error %d} :dt
-
-A call to the MEAM Fortran library returned an error. :dd
-
-{MPI_LMP_BIGINT and bigint in lmptype.h are not compatible} :dt
-
-The size of the MPI datatype does not match the size of a bigint. :dd
-
-{MPI_LMP_TAGINT and tagint in lmptype.h are not compatible} :dt
-
-The size of the MPI datatype does not match the size of a tagint. :dd
-
-{MSM can only currently be used with comm_style brick} :dt
-
-This is a current restriction in LAMMPS. :dd
-
-{MSM grid is too large} :dt
-
-The global MSM grid is larger than OFFSET in one or more dimensions.
-OFFSET is currently set to 16384.  You likely need to decrease the
-requested accuracy. :dd
-
-{MSM order must be 4, 6, 8, or 10} :dt
-
-This is a limitation of the MSM implementation in LAMMPS:
-the MSM order can only be 4, 6, 8, or 10. :dd
-
-{Mass command before simulation box is defined} :dt
-
-The mass command cannot be used before a read_data, read_restart, or
-create_box command. :dd
-
-{Matrix factorization to split dispersion coefficients failed} :dt
-
-This should not normally happen.  Contact the developers. :dd
-
-{Min_style command before simulation box is defined} :dt
-
-The min_style command cannot be used before a read_data, read_restart,
-or create_box command. :dd
-
-{Minimization could not find thermo_pe compute} :dt
-
-This compute is created by the thermo command.  It must have been
-explicitly deleted by a uncompute command. :dd
-
-{Minimize command before simulation box is defined} :dt
-
-The minimize command cannot be used before a read_data, read_restart,
-or create_box command. :dd
-
-{Mismatched brackets in variable} :dt
-
-Self-explanatory. :dd
-
-{Mismatched compute in variable formula} :dt
-
-A compute is referenced incorrectly or a compute that produces per-atom
-values is used in an equal-style variable formula. :dd
-
-{Mismatched fix in variable formula} :dt
-
-A fix is referenced incorrectly or a fix that produces per-atom
-values is used in an equal-style variable formula. :dd
-
-{Mismatched variable in variable formula} :dt
-
-A variable is referenced incorrectly or an atom-style variable that
-produces per-atom values is used in an equal-style variable
-formula. :dd
-
-{Modulo 0 in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Molecule IDs too large for compute chunk/atom} :dt
-
-The IDs must not be larger than can be stored in a 32-bit integer
-since chunk IDs are 32-bit integers. :dd
-
-{Molecule auto special bond generation overflow} :dt
-
-Counts exceed maxspecial setting for other atoms in system. :dd
-
-{Molecule file has angles but no nangles setting} :dt
-
-Self-explanatory. :dd
-
-{Molecule file has body params but no setting for them} :dt
-
-Self-explanatory. :dd
-
-{Molecule file has bonds but no nbonds setting} :dt
-
-Self-explanatory. :dd
-
-{Molecule file has dihedrals but no ndihedrals setting} :dt
-
-Self-explanatory. :dd
-
-{Molecule file has impropers but no nimpropers setting} :dt
-
-Self-explanatory. :dd
-
-{Molecule file has no Body Doubles section} :dt
-
-Self-explanatory. :dd
-
-{Molecule file has no Body Integers section} :dt
-
-Self-explanatory. :dd
-
-{Molecule file has special flags but no bonds} :dt
-
-Self-explanatory. :dd
-
-{Molecule file needs both Special Bond sections} :dt
-
-Self-explanatory. :dd
-
-{Molecule file requires atom style body} :dt
-
-Self-explanatory. :dd
-
-{Molecule file shake flags not before shake atoms} :dt
-
-The order of the two sections is important. :dd
-
-{Molecule file shake flags not before shake bonds} :dt
-
-The order of the two sections is important. :dd
-
-{Molecule file shake info is incomplete} :dt
-
-All 3 SHAKE sections are needed. :dd
-
-{Molecule file special list does not match special count} :dt
-
-The number of values in an atom's special list does not match count. :dd
-
-{Molecule file z center-of-mass must be 0.0 for 2d} :dt
-
-Self-explanatory. :dd
-
-{Molecule file z coord must be 0.0 for 2d} :dt
-
-Self-explanatory. :dd
-
-{Molecule natoms must be 1 for body particle} :dt
-
-Self-explanatory. :dd
-
-{Molecule sizescale must be 1.0 for body particle} :dt
-
-Self-explanatory. :dd
-
-{Molecule template ID for atom_style template does not exist} :dt
-
-Self-explanatory. :dd
-
-{Molecule template ID for create_atoms does not exist} :dt
-
-Self-explanatory. :dd
-
-{Molecule template ID for fix deposit does not exist} :dt
-
-Self-explanatory. :dd
-
-{Molecule template ID for fix gcmc does not exist} :dt
-
-Self-explanatory. :dd
-
-{Molecule template ID for fix pour does not exist} :dt
-
-Self-explanatory. :dd
-
-{Molecule template ID for fix rigid/small does not exist} :dt
-
-Self-explanatory. :dd
-
-{Molecule template ID for fix shake does not exist} :dt
-
-Self-explanatory. :dd
-
-{Molecule template ID must be alphanumeric or underscore characters} :dt
-
-Self-explanatory. :dd
-
-{Molecule topology/atom exceeds system topology/atom} :dt
-
-The number of bonds, angles, etc per-atom in the molecule exceeds the
-system setting.  See the create_box command for how to specify these
-values. :dd
-
-{Molecule topology type exceeds system topology type} :dt
-
-The number of bond, angle, etc types in the molecule exceeds the
-system setting.  See the create_box command for how to specify these
-values. :dd
-
-{More than one fix deform} :dt
-
-Only one fix deform can be defined at a time. :dd
-
-{More than one fix freeze} :dt
-
-Only one of these fixes can be defined, since the granular pair
-potentials access it. :dd
-
-{More than one fix shake} :dt
-
-Only one fix shake can be defined. :dd
-
-{Mu not allowed when not using semi-grand in fix atom/swap command} :dt
-
-Self-explanatory. :dd
-
-{Must define angle_style before Angle Coeffs} :dt
-
-Must use an angle_style command before reading a data file that
-defines Angle Coeffs. :dd
-
-{Must define angle_style before BondAngle Coeffs} :dt
-
-Must use an angle_style command before reading a data file that
-defines Angle Coeffs. :dd
-
-{Must define angle_style before BondBond Coeffs} :dt
-
-Must use an angle_style command before reading a data file that
-defines Angle Coeffs. :dd
-
-{Must define bond_style before Bond Coeffs} :dt
-
-Must use a bond_style command before reading a data file that
-defines Bond Coeffs. :dd
-
-{Must define dihedral_style before AngleAngleTorsion Coeffs} :dt
-
-Must use a dihedral_style command before reading a data file that
-defines AngleAngleTorsion Coeffs. :dd
-
-{Must define dihedral_style before AngleTorsion Coeffs} :dt
-
-Must use a dihedral_style command before reading a data file that
-defines AngleTorsion Coeffs. :dd
-
-{Must define dihedral_style before BondBond13 Coeffs} :dt
-
-Must use a dihedral_style command before reading a data file that
-defines BondBond13 Coeffs. :dd
-
-{Must define dihedral_style before Dihedral Coeffs} :dt
-
-Must use a dihedral_style command before reading a data file that
-defines Dihedral Coeffs. :dd
-
-{Must define dihedral_style before EndBondTorsion Coeffs} :dt
-
-Must use a dihedral_style command before reading a data file that
-defines EndBondTorsion Coeffs. :dd
-
-{Must define dihedral_style before MiddleBondTorsion Coeffs} :dt
-
-Must use a dihedral_style command before reading a data file that
-defines MiddleBondTorsion Coeffs. :dd
-
-{Must define improper_style before AngleAngle Coeffs} :dt
-
-Must use an improper_style command before reading a data file that
-defines AngleAngle Coeffs. :dd
-
-{Must define improper_style before Improper Coeffs} :dt
-
-Must use an improper_style command before reading a data file that
-defines Improper Coeffs. :dd
-
-{Must define pair_style before Pair Coeffs} :dt
-
-Must use a pair_style command before reading a data file that defines
-Pair Coeffs. :dd
-
-{Must define pair_style before PairIJ Coeffs} :dt
-
-Must use a pair_style command before reading a data file that defines
-PairIJ Coeffs. :dd
-
-{Must have more than one processor partition to temper} :dt
-
-Cannot use the temper command with only one processor partition.  Use
-the -partition command-line option. :dd
-
-{Must read Atoms before Angles} :dt
-
-The Atoms section of a data file must come before an Angles section. :dd
-
-{Must read Atoms before Bodies} :dt
-
-The Atoms section of a data file must come before a Bodies section. :dd
-
-{Must read Atoms before Bonds} :dt
-
-The Atoms section of a data file must come before a Bonds section. :dd
-
-{Must read Atoms before Dihedrals} :dt
-
-The Atoms section of a data file must come before a Dihedrals section. :dd
-
-{Must read Atoms before Ellipsoids} :dt
-
-The Atoms section of a data file must come before a Ellipsoids
-section. :dd
-
-{Must read Atoms before Impropers} :dt
-
-The Atoms section of a data file must come before an Impropers
-section. :dd
-
-{Must read Atoms before Lines} :dt
-
-The Atoms section of a data file must come before a Lines section. :dd
-
-{Must read Atoms before Triangles} :dt
-
-The Atoms section of a data file must come before a Triangles section. :dd
-
-{Must read Atoms before Velocities} :dt
-
-The Atoms section of a data file must come before a Velocities
-section. :dd
-
-{Must re-specify non-restarted pair style (xxx) after read_restart} :dt
-
-For pair styles, that do not store their settings in a restart file,
-it must be defined with a new 'pair_style' command after read_restart. :dd
-
-{Must set both respa inner and outer} :dt
-
-Cannot use just the inner or outer option with respa without using the
-other. :dd
-
-{Must set number of threads via package omp command} :dt
-
-Because you are using the USER-OMP package, set the number of threads
-via its settings, not by the pair_style snap nthreads setting. :dd
-
-{Must shrink-wrap piston boundary} :dt
-
-The boundary style of the face where the piston is applied must be of
-type s (shrink-wrapped). :dd
-
-{Must specify a region in fix deposit} :dt
-
-The region keyword must be specified with this fix. :dd
-
-{Must specify a region in fix pour} :dt
-
-Self-explanatory. :dd
-
-{Must specify at least 2 types in fix atom/swap command} :dt
-
-Self-explanatory. :dd
-
-{Must use 'kim_style init' command before simulation box is defined} :dt
-
-Self-explanatory. :dd
-
-{Must use 'kim_style define' command after simulation box is defined} :dt
-
-Self-explanatory. :dd
-
-{Must use 'kim_style init' command before 'kim_style define'} :dt
-
-Self-explanatory. :dd
-
-{Must use 'kspace_modify pressure/scalar no' for rRESPA with kspace_style MSM} :dt
-
-The kspace scalar pressure option cannot (yet) be used with rRESPA. :dd
-
-{Must use 'kspace_modify pressure/scalar no' for tensor components with kspace_style msm} :dt
-
-Otherwise MSM will compute only a scalar pressure.  See the kspace_modify
-command for details on this setting. :dd
-
-{Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM} :dt
-
-The kspace scalar pressure option cannot be used to obtain per-atom virial. :dd
-
-{Must use 'kspace_modify pressure/scalar no' with GPU MSM Pair styles} :dt
-
-The kspace scalar pressure option is not (yet) compatible with GPU MSM Pair styles. :dd
-
-{Must use 'kspace_modify pressure/scalar no' with kspace_style msm/cg} :dt
-
-The kspace scalar pressure option is not compatible with kspace_style msm/cg. :dd
-
-{Must use -in switch with multiple partitions} :dt
-
-A multi-partition simulation cannot read the input script from stdin.
-The -in command-line option must be used to specify a file. :dd
-
-{Must use Kokkos half/thread or full neighbor list with threads or GPUs} :dt
-
-Using Kokkos half-neighbor lists with threading is not allowed. :dd
-
-{Must use a block or cylinder region with fix pour} :dt
-
-Self-explanatory. :dd
-
-{Must use a block region with fix pour for 2d simulations} :dt
-
-Self-explanatory. :dd
-
-{Must use a bond style with TIP4P potential} :dt
-
-TIP4P potentials assume bond lengths in water are constrained
-by a fix shake command. :dd
-
-{Must use a molecular atom style with fix poems molecule} :dt
-
-Self-explanatory. :dd
-
-{Must use a z-axis cylinder region with fix pour} :dt
-
-Self-explanatory. :dd
-
-{Must use an angle style with TIP4P potential} :dt
-
-TIP4P potentials assume angles in water are constrained by a fix shake
-command. :dd
-
-{Must use atom map style array with Kokkos} :dt
-
-See the atom_modify map command. :dd
-
-{Must use atom style with molecule IDs with fix bond/swap} :dt
-
-Self-explanatory. :dd
-
-{Must use pair_style comb or comb3 with fix qeq/comb} :dt
-
-Self-explanatory. :dd
-
-{Must use variable energy with fix addforce} :dt
-
-Must define an energy variable when applying a dynamic
-force during minimization. :dd
-
-{Must use variable energy with fix efield} :dt
-
-You must define an energy when performing a minimization with a
-variable E-field. :dd
-
-{NEB command before simulation box is defined} :dt
-
-Self-explanatory. :dd
-
-{NEB requires damped dynamics minimizer} :dt
-
-Use a different minimization style. :dd
-
-{NEB requires use of fix neb} :dt
-
-Self-explanatory. :dd
-
-{NL ramp in wall/piston only implemented in zlo for now} :dt
-
-The ramp keyword can only be used for piston applied to face zlo. :dd
-
-{Need nswaptypes mu values in fix atom/swap command} :dt
-
-Self-explanatory. :dd
-
-{Needed bonus data not in data file} :dt
-
-Some atom styles require bonus data.  See the read_data doc page for
-details. :dd
-
-{Needed molecular topology not in data file} :dt
-
-The header of the data file indicated bonds, angles, etc would be
-included, but they are not present. :dd
-
-{Neigh_modify exclude molecule requires atom attribute molecule} :dt
-
-Self-explanatory. :dd
-
-{Neigh_modify include group != atom_modify first group} :dt
-
-Self-explanatory. :dd
-
-{Neighbor delay must be 0 or multiple of every setting} :dt
-
-The delay and every parameters set via the neigh_modify command are
-inconsistent.  If the delay setting is non-zero, then it must be a
-multiple of the every setting. :dd
-
-{Neighbor include group not allowed with ghost neighbors} :dt
-
-This is a current restriction within LAMMPS. :dd
-
-{Neighbor list overflow, boost neigh_modify one} :dt
-
-There are too many neighbors of a single atom.  Use the neigh_modify
-command to increase the max number of neighbors allowed for one atom.
-You may also want to boost the page size. :dd
-
-{Neighbor multi not yet enabled for ghost neighbors} :dt
-
-This is a current restriction within LAMMPS. :dd
-
-{Neighbor multi not yet enabled for granular} :dt
-
-Self-explanatory. :dd
-
-{Neighbor multi not yet enabled for rRESPA} :dt
-
-Self-explanatory. :dd
-
-{Neighbor page size must be >= 10x the one atom setting} :dt
-
-This is required to prevent wasting too much memory. :dd
-
-{New atom IDs exceed maximum allowed ID} :dt
-
-See the setting for tagint in the src/lmptype.h file. :dd
-
-{New bond exceeded bonds per atom in create_bonds} :dt
-
-See the read_data command for info on using the "extra/bond/per/atom"
-keyword to allow for additional bonds to be formed
-
-{New bond exceeded bonds per atom in fix bond/create} :dt
-
-See the read_data command for info on using the "extra/bond/per/atom"
-keyword to allow for additional bonds to be formed :dd
-
-{New bond exceeded special list size in fix bond/create} :dt
-
-See the "read_data extra/special/per/atom" command
-(or the "create_box extra/special/per/atom" command)
-for info on how to leave space in the special bonds
-list to allow for additional bonds to be formed. :dd
-
-{Newton bond change after simulation box is defined} :dt
-
-The newton command cannot be used to change the newton bond value
-after a read_data, read_restart, or create_box command. :dd
-
-{Next command must list all universe and uloop variables} :dt
-
-This is to insure they stay in sync. :dd
-
-{No Kspace style defined for compute group/group} :dt
-
-Self-explanatory. :dd
-
-{No OpenMP support compiled in} :dt
-
-An OpenMP flag is set, but LAMMPS was not built with
-OpenMP support. :dd
-
-{No angle style is defined for compute angle/local} :dt
-
-Self-explanatory. :dd
-
-{No angles allowed with this atom style} :dt
-
-Self-explanatory. :dd
-
-{No atoms in data file} :dt
-
-The header of the data file indicated that atoms would be included,
-but they are not present. :dd
-
-{No basis atoms in lattice} :dt
-
-Basis atoms must be defined for lattice style user. :dd
-
-{No bodies allowed with this atom style} :dt
-
-Self-explanatory.  Check data file. :dd
-
-{No bond style is defined for compute bond/local} :dt
-
-Self-explanatory. :dd
-
-{No bonds allowed with this atom style} :dt
-
-Self-explanatory. :dd
-
-{No box information in dump. You have to use 'box no'} :dt
-
-Self-explanatory. :dd
-
-{No count or invalid atom count in molecule file} :dt
-
-The number of atoms must be specified. :dd
-
-{No dihedral style is defined for compute dihedral/local} :dt
-
-Self-explanatory. :dd
-
-{No dihedrals allowed with this atom style} :dt
-
-Self-explanatory. :dd
-
-{No dump custom arguments specified} :dt
-
-The dump custom command requires that atom quantities be specified to
-output to dump file. :dd
-
-{No dump local arguments specified} :dt
-
-Self-explanatory. :dd
-
-{No ellipsoids allowed with this atom style} :dt
-
-Self-explanatory.  Check data file. :dd
-
-{No fix gravity defined for fix pour} :dt
-
-Gravity is required to use fix pour. :dd
-
-{No improper style is defined for compute improper/local} :dt
-
-Self-explanatory. :dd
-
-{No impropers allowed with this atom style} :dt
-
-Self-explanatory. :dd
-
-{No input values for fix ave/spatial} :dt
-
-Self-explanatory. :dd
-
-{No lines allowed with this atom style} :dt
-
-Self-explanatory.  Check data file. :dd
-
-{No matching element in ADP potential file} :dt
-
-The ADP potential file does not contain elements that match the
-requested elements. :dd
-
-{No matching element in EAM potential file} :dt
-
-The EAM potential file does not contain elements that match the
-requested elements. :dd
-
-{No molecule topology allowed with atom style template} :dt
-
-The data file cannot specify the number of bonds, angles, etc,
-because this info if inferred from the molecule templates. :dd
-
-{No overlap of box and region for create_atoms} :dt
-
-Self-explanatory. :dd
-
-{No pair coul/streitz for fix qeq/slater} :dt
-
-These commands must be used together. :dd
-
-{No pair hbond/dreiding coefficients set} :dt
-
-Self-explanatory. :dd
-
-{No pair style defined for compute group/group} :dt
-
-Cannot calculate group interactions without a pair style defined. :dd
-
-{No pair style is defined for compute pair/local} :dt
-
-Self-explanatory. :dd
-
-{No pair style is defined for compute property/local} :dt
-
-Self-explanatory. :dd
-
-{No rigid bodies defined} :dt
-
-The fix specification did not end up defining any rigid bodies. :dd
-
-{No triangles allowed with this atom style} :dt
-
-Self-explanatory.  Check data file. :dd
-
-{No values in fix ave/chunk command} :dt
-
-Self-explanatory. :dd
-
-{No values in fix ave/time command} :dt
-
-Self-explanatory. :dd
-
-{Non digit character between brackets in variable} :dt
-
-Self-explanatory. :dd
-
-{Non integer # of swaps in temper command} :dt
-
-Swap frequency in temper command must evenly divide the total # of
-timesteps. :dd
-
-{Non-numeric box dimensions - simulation unstable} :dt
-
-The box size has apparently blown up. :dd
-
-{Non-zero atom IDs with atom_modify id = no} :dt
-
-Self-explanatory. :dd
-
-{Non-zero read_data shift z value for 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Nprocs not a multiple of N for -reorder} :dt
-
-Self-explanatory. :dd
-
-{Number of core atoms != number of shell atoms} :dt
-
-There must be a one-to-one pairing of core and shell atoms. :dd
-
-{Numeric index is out of bounds} :dt
-
-A command with an argument that specifies an integer or range of
-integers is using a value that is less than 1 or greater than the
-maximum allowed limit. :dd
-
-{One or more Atom IDs is negative} :dt
-
-Atom IDs must be positive integers. :dd
-
-{One or more atom IDs is too big} :dt
-
-The limit on atom IDs is set by the SMALLBIG, BIGBIG, SMALLSMALL
-setting in your LAMMPS build.  See the "Build
-settings"_Build_settings.html doc page for more info. :dd
-
-{One or more atom IDs is zero} :dt
-
-Either all atoms IDs must be zero or none of them. :dd
-
-{One or more atoms belong to multiple rigid bodies} :dt
-
-Two or more rigid bodies defined by the fix rigid command cannot
-contain the same atom. :dd
-
-{One or more rigid bodies are a single particle} :dt
-
-Self-explanatory. :dd
-
-{One or zero atoms in rigid body} :dt
-
-Any rigid body defined by the fix rigid command must contain 2 or more
-atoms. :dd
-
-{Only 2 types allowed when not using semi-grand in fix atom/swap command} :dt
-
-Self-explanatory. :dd
-
-{Only one cut-off allowed when requesting all long} :dt
-
-Self-explanatory. :dd
-
-{Only one cutoff allowed when requesting all long} :dt
-
-Self-explanatory. :dd
-
-{Only zhi currently implemented for fix append/atoms} :dt
-
-Self-explanatory. :dd
-
-{Out of range atoms - cannot compute MSM} :dt
-
-One or more atoms are attempting to map their charge to a MSM grid point
-that is not owned by a processor.  This is likely for one of two
-reasons, both of them bad.  First, it may mean that an atom near the
-boundary of a processor's sub-domain has moved more than 1/2 the
-"neighbor skin distance"_neighbor.html without neighbor lists being
-rebuilt and atoms being migrated to new processors.  This also means
-you may be missing pairwise interactions that need to be computed.
-The solution is to change the re-neighboring criteria via the
-"neigh_modify"_neigh_modify.html command.  The safest settings are
-"delay 0 every 1 check yes".  Second, it may mean that an atom has
-moved far outside a processor's sub-domain or even the entire
-simulation box. This indicates bad physics, e.g. due to highly
-overlapping atoms, too large a timestep, etc. :dd
-
-{Out of range atoms - cannot compute PPPM} :dt
-
-One or more atoms are attempting to map their charge to a PPPM grid
-point that is not owned by a processor.  This is likely for one of two
-reasons, both of them bad.  First, it may mean that an atom near the
-boundary of a processor's sub-domain has moved more than 1/2 the
-"neighbor skin distance"_neighbor.html without neighbor lists being
-rebuilt and atoms being migrated to new processors.  This also means
-you may be missing pairwise interactions that need to be computed.
-The solution is to change the re-neighboring criteria via the
-"neigh_modify"_neigh_modify.html command.  The safest settings are
-"delay 0 every 1 check yes".  Second, it may mean that an atom has
-moved far outside a processor's sub-domain or even the entire
-simulation box. This indicates bad physics, e.g. due to highly
-overlapping atoms, too large a timestep, etc. :dd
-
-{Out of range atoms - cannot compute PPPMDisp} :dt
-
-One or more atoms are attempting to map their charge to a PPPM grid
-point that is not owned by a processor.  This is likely for one of two
-reasons, both of them bad.  First, it may mean that an atom near the
-boundary of a processor's sub-domain has moved more than 1/2 the
-"neighbor skin distance"_neighbor.html without neighbor lists being
-rebuilt and atoms being migrated to new processors.  This also means
-you may be missing pairwise interactions that need to be computed.
-The solution is to change the re-neighboring criteria via the
-"neigh_modify"_neigh_modify.html command.  The safest settings are
-"delay 0 every 1 check yes".  Second, it may mean that an atom has
-moved far outside a processor's sub-domain or even the entire
-simulation box. This indicates bad physics, e.g. due to highly
-overlapping atoms, too large a timestep, etc. :dd
-
-{Overflow of allocated fix vector storage} :dt
-
-This should not normally happen if the fix correctly calculated
-how long the vector will grow to.  Contact the developers. :dd
-
-{Overlapping large/large in pair colloid} :dt
-
-This potential is infinite when there is an overlap. :dd
-
-{Overlapping small/large in pair colloid} :dt
-
-This potential is infinite when there is an overlap. :dd
-
-{POEMS fix must come before NPT/NPH fix} :dt
-
-NPT/NPH fix must be defined in input script after all poems fixes,
-else the fix contribution to the pressure virial is incorrect. :dd
-
-{PPPM can only currently be used with comm_style brick} :dt
-
-This is a current restriction in LAMMPS. :dd
-
-{PPPM grid is too large} :dt
-
-The global PPPM grid is larger than OFFSET in one or more dimensions.
-OFFSET is currently set to 4096.  You likely need to decrease the
-requested accuracy. :dd
-
-{PPPM grid stencil extends beyond nearest neighbor processor} :dt
-
-This is not allowed if the kspace_modify overlap setting is no. :dd
-
-{PPPM order < minimum allowed order} :dt
-
-The default minimum order is 2.  This can be reset by the
-kspace_modify minorder command. :dd
-
-{PPPM order cannot be < 2 or > than %d} :dt
-
-This is a limitation of the PPPM implementation in LAMMPS. :dd
-
-{PPPMDisp Coulomb grid is too large} :dt
-
-The global PPPM grid is larger than OFFSET in one or more dimensions.
-OFFSET is currently set to 4096.  You likely need to decrease the
-requested accuracy. :dd
-
-{PPPMDisp Dispersion grid is too large} :dt
-
-The global PPPM grid is larger than OFFSET in one or more dimensions.
-OFFSET is currently set to 4096.  You likely need to decrease the
-requested accuracy. :dd
-
-{PPPMDisp can only currently be used with comm_style brick} :dt
-
-This is a current restriction in LAMMPS. :dd
-
-{PPPMDisp coulomb order cannot be greater than %d} :dt
-
-This is a limitation of the PPPM implementation in LAMMPS. :dd
-
-{PPPMDisp used but no parameters set, for further information please see the pppm/disp documentation} :dt
-
-An efficient and accurate usage of the pppm/disp requires settings via the kspace_modify command. Please see the pppm/disp documentation for further instructions. :dd
-
-{PRD command before simulation box is defined} :dt
-
-The prd command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{PRD nsteps must be multiple of t_event} :dt
-
-Self-explanatory. :dd
-
-{PRD t_corr must be multiple of t_event} :dt
-
-Self-explanatory. :dd
-
-{Package command after simulation box is defined} :dt
-
-The package command cannot be used after a read_data, read_restart, or
-create_box command. :dd
-
-{Package gpu command without GPU package installed} :dt
-
-The GPU package must be installed via "make yes-gpu" before LAMMPS is
-built. :dd
-
-{Package intel command without USER-INTEL package installed} :dt
-
-The USER-INTEL package must be installed via "make yes-user-intel"
-before LAMMPS is built. :dd
-
-{Package kokkos command without KOKKOS package enabled} :dt
-
-The KOKKOS package must be installed via "make yes-kokkos" before
-LAMMPS is built, and the "-k on" must be used to enable the package. :dd
-
-{Package omp command without USER-OMP package installed} :dt
-
-The USER-OMP package must be installed via "make yes-user-omp" before
-LAMMPS is built. :dd
-
-{Pair body requires atom style body} :dt
-
-Self-explanatory. :dd
-
-{Pair body requires body style nparticle} :dt
-
-This pair style is specific to the nparticle body style. :dd
-
-{Pair brownian requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Pair brownian requires extended particles} :dt
-
-One of the particles has radius 0.0. :dd
-
-{Pair brownian requires monodisperse particles} :dt
-
-All particles must be the same finite size. :dd
-
-{Pair brownian/poly requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Pair brownian/poly requires extended particles} :dt
-
-One of the particles has radius 0.0. :dd
-
-{Pair brownian/poly requires newton pair off} :dt
-
-Self-explanatory. :dd
-
-{Pair coeff for hybrid has invalid style} :dt
-
-Style in pair coeff must have been listed in pair_style command. :dd
-
-{Pair coul/wolf requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair cutoff < Respa interior cutoff} :dt
-
-One or more pairwise cutoffs are too short to use with the specified
-rRESPA cutoffs. :dd
-
-{Pair dipole/cut requires atom attributes q, mu, torque} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair dipole/cut/gpu requires atom attributes q, mu, torque} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair dipole/long requires atom attributes q, mu, torque} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair dipole/sf/gpu requires atom attributes q, mu, torque} :dt
-
-The atom style defined does not one or more of these attributes. :dd
-
-{Pair distance < table inner cutoff} :dt
-
-Two atoms are closer together than the pairwise table allows. :dd
-
-{Pair distance > table outer cutoff} :dt
-
-Two atoms are further apart than the pairwise table allows. :dd
-
-{Pair dpd requires ghost atoms store velocity} :dt
-
-Use the comm_modify vel yes command to enable this. :dd
-
-{Pair gayberne epsilon a,b,c coeffs are not all set} :dt
-
-Each atom type involved in pair_style gayberne must
-have these 3 coefficients set at least once. :dd
-
-{Pair gayberne requires atom style ellipsoid} :dt
-
-Self-explanatory. :dd
-
-{Pair gayberne requires atoms with same type have same shape} :dt
-
-Self-explanatory. :dd
-
-{Pair gayberne/gpu requires atom style ellipsoid} :dt
-
-Self-explanatory. :dd
-
-{Pair gayberne/gpu requires atoms with same type have same shape} :dt
-
-Self-explanatory. :dd
-
-{Pair granular requires atom attributes radius, rmass} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair granular requires ghost atoms store velocity} :dt
-
-Use the comm_modify vel yes command to enable this. :dd
-
-{Pair granular with shear history requires newton pair off} :dt
-
-This is a current restriction of the implementation of pair
-granular styles with history. :dd
-
-{Pair hybrid single calls do not support per sub-style special bond values} :dt
-
-Self-explanatory. :dd
-
-{Pair hybrid sub-style does not support single call} :dt
-
-You are attempting to invoke a single() call on a pair style
-that doesn't support it. :dd
-
-{Pair hybrid sub-style is not used} :dt
-
-No pair_coeff command used a sub-style specified in the pair_style
-command. :dd
-
-{Pair inner cutoff < Respa interior cutoff} :dt
-
-One or more pairwise cutoffs are too short to use with the specified
-rRESPA cutoffs. :dd
-
-{Pair inner cutoff >= Pair outer cutoff} :dt
-
-The specified cutoffs for the pair style are inconsistent. :dd
-
-{Pair line/lj requires atom style line} :dt
-
-Self-explanatory. :dd
-
-{Pair lj/long/dipole/long requires atom attributes mu, torque} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair lubricate requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Pair lubricate requires ghost atoms store velocity} :dt
-
-Use the comm_modify vel yes command to enable this. :dd
-
-{Pair lubricate requires monodisperse particles} :dt
-
-All particles must be the same finite size. :dd
-
-{Pair lubricate/poly requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Pair lubricate/poly requires extended particles} :dt
-
-One of the particles has radius 0.0. :dd
-
-{Pair lubricate/poly requires ghost atoms store velocity} :dt
-
-Use the comm_modify vel yes command to enable this. :dd
-
-{Pair lubricate/poly requires newton pair off} :dt
-
-Self-explanatory. :dd
-
-{Pair lubricateU requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Pair lubricateU requires ghost atoms store velocity} :dt
-
-Use the comm_modify vel yes command to enable this. :dd
-
-{Pair lubricateU requires monodisperse particles} :dt
-
-All particles must be the same finite size. :dd
-
-{Pair lubricateU/poly requires ghost atoms store velocity} :dt
-
-Use the comm_modify vel yes command to enable this. :dd
-
-{Pair lubricateU/poly requires newton pair off} :dt
-
-Self-explanatory. :dd
-
-{Pair peri lattice is not identical in x, y, and z} :dt
-
-The lattice defined by the lattice command must be cubic. :dd
-
-{Pair peri requires a lattice be defined} :dt
-
-Use the lattice command for this purpose. :dd
-
-{Pair peri requires an atom map, see atom_modify} :dt
-
-Even for atomic systems, an atom map is required to find Peridynamic
-bonds.  Use the atom_modify command to define one. :dd
-
-{Pair resquared epsilon a,b,c coeffs are not all set} :dt
-
-Self-explanatory. :dd
-
-{Pair resquared epsilon and sigma coeffs are not all set} :dt
-
-Self-explanatory. :dd
-
-{Pair resquared requires atom style ellipsoid} :dt
-
-Self-explanatory. :dd
-
-{Pair resquared requires atoms with same type have same shape} :dt
-
-Self-explanatory. :dd
-
-{Pair resquared/gpu requires atom style ellipsoid} :dt
-
-Self-explanatory. :dd
-
-{Pair resquared/gpu requires atoms with same type have same shape} :dt
-
-Self-explanatory. :dd
-
-{Pair style AIREBO requires atom IDs} :dt
-
-This is a requirement to use the AIREBO potential. :dd
-
-{Pair style AIREBO requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the AIREBO
-potential. :dd
-
-{Pair style BOP requires atom IDs} :dt
-
-This is a requirement to use the BOP potential. :dd
-
-{Pair style BOP requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the BOP
-potential. :dd
-
-{Pair style COMB requires atom IDs} :dt
-
-This is a requirement to use the AIREBO potential. :dd
-
-{Pair style COMB requires atom attribute q} :dt
-
-Self-explanatory. :dd
-
-{Pair style COMB requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the COMB
-potential. :dd
-
-{Pair style COMB3 requires atom IDs} :dt
-
-This is a requirement to use the COMB3 potential. :dd
-
-{Pair style COMB3 requires atom attribute q} :dt
-
-Self-explanatory. :dd
-
-{Pair style COMB3 requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the COMB3
-potential. :dd
-
-{Pair style LCBOP requires atom IDs} :dt
-
-This is a requirement to use the LCBOP potential. :dd
-
-{Pair style LCBOP requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the Tersoff
-potential. :dd
-
-{Pair style MEAM requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the MEAM
-potential. :dd
-
-{Pair style SNAP requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the SNAP
-potential. :dd
-
-{Pair style Stillinger-Weber requires atom IDs} :dt
-
-This is a requirement to use the SW potential. :dd
-
-{Pair style Stillinger-Weber requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the SW
-potential. :dd
-
-{Pair style Tersoff requires atom IDs} :dt
-
-This is a requirement to use the Tersoff potential. :dd
-
-{Pair style Tersoff requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the Tersoff
-potential. :dd
-
-{Pair style Vashishta requires atom IDs} :dt
-
-This is a requirement to use the Vashishta potential. :dd
-
-{Pair style Vashishta requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the Vashishta
-potential. :dd
-
-{Pair style bop requires comm ghost cutoff at least 3x larger than %g} :dt
-
-Use the communicate ghost command to set this.  See the pair bop
-doc page for more details. :dd
-
-{Pair style born/coul/long requires atom attribute q} :dt
-
-An atom style that defines this attribute must be used. :dd
-
-{Pair style born/coul/long/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style born/coul/wolf requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style buck/coul/cut requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style buck/coul/long requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair style buck/coul/long/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style buck/long/coul/long requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style coul/cut requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair style coul/cut/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style coul/debye/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style coul/dsf requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style coul/dsf/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style coul/long/gpu requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair style coul/streitz requires atom attribute q} :dt
-
-Self-explanatory. :dd
-
-{Pair style does not have extra field requested by compute pair/local} :dt
-
-The pair style does not support the pN value requested by the compute
-pair/local command. :dd
-
-{Pair style does not support bond_style quartic} :dt
-
-The pair style does not have a single() function, so it can
-not be invoked by bond_style quartic. :dd
-
-{Pair style does not support compute group/group} :dt
-
-The pair_style does not have a single() function, so it cannot be
-invoked by the compute group/group command. :dd
-
-{Pair style does not support compute pair/local} :dt
-
-The pair style does not have a single() function, so it can
-not be invoked by compute pair/local. :dd
-
-{Pair style does not support compute property/local} :dt
-
-The pair style does not have a single() function, so it can
-not be invoked by fix bond/swap. :dd
-
-{Pair style does not support fix bond/swap} :dt
-
-The pair style does not have a single() function, so it can
-not be invoked by fix bond/swap. :dd
-
-{Pair style does not support pair_write} :dt
-
-The pair style does not have a single() function, so it can
-not be invoked by pair write. :dd
-
-{Pair style does not support rRESPA inner/middle/outer} :dt
-
-You are attempting to use rRESPA options with a pair style that
-does not support them. :dd
-
-{Pair style granular with history requires atoms have IDs} :dt
-
-Atoms in the simulation do not have IDs, so history effects
-cannot be tracked by the granular pair potential. :dd
-
-{Pair style hbond/dreiding requires an atom map, see atom_modify} :dt
-
-Self-explanatory. :dd
-
-{Pair style hbond/dreiding requires atom IDs} :dt
-
-Self-explanatory. :dd
-
-{Pair style hbond/dreiding requires molecular system} :dt
-
-Self-explanatory. :dd
-
-{Pair style hbond/dreiding requires newton pair on} :dt
-
-See the newton command for details. :dd
-
-{Pair style hybrid cannot have hybrid as an argument} :dt
-
-Self-explanatory. :dd
-
-{Pair style hybrid cannot have none as an argument} :dt
-
-Self-explanatory. :dd
-
-{Pair style is incompatible with KSpace style} :dt
-
-If a pair style with a long-range Coulombic component is selected,
-then a kspace style must also be used. :dd
-
-{Pair style is incompatible with TIP4P KSpace style} :dt
-
-The pair style does not have the requires TIP4P settings. :dd
-
-{Pair style lj/charmm/coul/charmm requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair style lj/charmm/coul/long requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair style lj/charmm/coul/long/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/class2/coul/cut requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/class2/coul/long requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/class2/coul/long/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/cut/coul/cut requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/cut/coul/cut/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/cut/coul/debye/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/cut/coul/dsf requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair style lj/cut/coul/dsf/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/cut/coul/long requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/cut/coul/long/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/cut/tip4p/cut requires atom IDs} :dt
-
-This is a requirement to use this potential. :dd
-
-{Pair style lj/cut/tip4p/cut requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style lj/cut/tip4p/cut requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use this
-potential. :dd
-
-{Pair style lj/cut/tip4p/long requires atom IDs} :dt
-
-There are no atom IDs defined in the system and the TIP4P potential
-requires them to find O,H atoms with a water molecule. :dd
-
-{Pair style lj/cut/tip4p/long requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair style lj/cut/tip4p/long requires newton pair on} :dt
-
-This is because the computation of constraint forces within a water
-molecule adds forces to atoms owned by other processors. :dd
-
-{Pair style lj/gromacs/coul/gromacs requires atom attribute q} :dt
-
-An atom_style with this attribute is needed. :dd
-
-{Pair style lj/long/dipole/long does not currently support respa} :dt
-
-This feature is not yet supported. :dd
-
-{Pair style lj/long/tip4p/long requires atom IDs} :dt
-
-There are no atom IDs defined in the system and the TIP4P potential
-requires them to find O,H atoms with a water molecule. :dd
-
-{Pair style lj/long/tip4p/long requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair style lj/long/tip4p/long requires newton pair on} :dt
-
-This is because the computation of constraint forces within a water
-molecule adds forces to atoms owned by other processors. :dd
-
-{Pair style lj/sdk/coul/long/gpu requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style nb3b/harmonic requires atom IDs} :dt
-
-This is a requirement to use this potential. :dd
-
-{Pair style nb3b/harmonic requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use this potential. :dd
-
-{Pair style nm/cut/coul/cut requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style nm/cut/coul/long requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style peri requires atom style peri} :dt
-
-Self-explanatory. :dd
-
-{Pair style polymorphic requires atom IDs} :dt
-
-This is a requirement to use the polymorphic potential. :dd
-
-{Pair style polymorphic requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use the polymorphic
-potential. :dd
-
-{Pair style reax requires atom IDs} :dt
-
-This is a requirement to use the ReaxFF potential. :dd
-
-{Pair style reax requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style reax requires newton pair on} :dt
-
-This is a requirement to use the ReaxFF potential. :dd
-
-{Pair style requires a KSpace style} :dt
-
-No kspace style is defined. :dd
-
-{Pair style requires use of kspace_style ewald/disp} :dt
-
-Self-explanatory. :dd
-
-{Pair style sw/gpu requires atom IDs} :dt
-
-This is a requirement to use this potential. :dd
-
-{Pair style sw/gpu requires newton pair off} :dt
-
-See the newton command.  This is a restriction to use this potential. :dd
-
-{Pair style vashishta/gpu requires atom IDs} :dt
-
-This is a requirement to use this potential. :dd
-
-{Pair style vashishta/gpu requires newton pair off} :dt
-
-See the newton command.  This is a restriction to use this potential. :dd
-
-{Pair style tersoff/gpu requires atom IDs} :dt
-
-This is a requirement to use the tersoff/gpu potential. :dd
-
-{Pair style tersoff/gpu requires newton pair off} :dt
-
-See the newton command.  This is a restriction to use this pair style. :dd
-
-{Pair style tip4p/cut requires atom IDs} :dt
-
-This is a requirement to use this potential. :dd
-
-{Pair style tip4p/cut requires atom attribute q} :dt
-
-The atom style defined does not have this attribute. :dd
-
-{Pair style tip4p/cut requires newton pair on} :dt
-
-See the newton command.  This is a restriction to use this potential. :dd
-
-{Pair style tip4p/long requires atom IDs} :dt
-
-There are no atom IDs defined in the system and the TIP4P potential
-requires them to find O,H atoms with a water molecule. :dd
-
-{Pair style tip4p/long requires atom attribute q} :dt
-
-The atom style defined does not have these attributes. :dd
-
-{Pair style tip4p/long requires newton pair on} :dt
-
-This is because the computation of constraint forces within a water
-molecule adds forces to atoms owned by other processors. :dd
-
-{Pair table cutoffs must all be equal to use with KSpace} :dt
-
-When using pair style table with a long-range KSpace solver, the
-cutoffs for all atom type pairs must all be the same, since the
-long-range solver starts at that cutoff. :dd
-
-{Pair table parameters did not set N} :dt
-
-List of pair table parameters must include N setting. :dd
-
-{Pair tersoff/zbl requires metal or real units} :dt
-
-This is a current restriction of this pair potential. :dd
-
-{Pair tersoff/zbl/kk requires metal or real units} :dt
-
-This is a current restriction of this pair potential. :dd
-
-{Pair tri/lj requires atom style tri} :dt
-
-Self-explanatory. :dd
-
-{Pair yukawa/colloid requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Pair yukawa/colloid requires atoms with same type have same radius} :dt
-
-Self-explanatory. :dd
-
-{Pair yukawa/colloid/gpu requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{PairKIM only works with 3D problems} :dt
-
-This is a current limitation. :dd
-
-{Pair_coeff command before pair_style is defined} :dt
-
-Self-explanatory. :dd
-
-{Pair_coeff command before simulation box is defined} :dt
-
-The pair_coeff command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{Pair_modify command before pair_style is defined} :dt
-
-Self-explanatory. :dd
-
-{Pair_modify special setting for pair hybrid incompatible with global special_bonds setting} :dt
-
-Cannot override a setting of 0.0 or 1.0 or change a setting between
-0.0 and 1.0. :dd
-
-{Pair_write command before pair_style is defined} :dt
-
-Self-explanatory. :dd
-
-{Particle on or inside fix wall surface} :dt
-
-Particles must be "exterior" to the wall in order for energy/force to
-be calculated. :dd
-
-{Particle outside surface of region used in fix wall/region} :dt
-
-Particles must be inside the region for energy/force to be calculated.
-A particle outside the region generates an error. :dd
-
-{Per-atom compute in equal-style variable formula} :dt
-
-Equal-style variables cannot use per-atom quantities. :dd
-
-{Per-atom energy was not tallied on needed timestep} :dt
-
-You are using a thermo keyword that requires potentials to
-have tallied energy, but they didn't on this timestep.  See the
-variable doc page for ideas on how to make this work. :dd
-
-{Per-atom fix in equal-style variable formula} :dt
-
-Equal-style variables cannot use per-atom quantities. :dd
-
-{Per-atom virial was not tallied on needed timestep} :dt
-
-You are using a thermo keyword that requires potentials to have
-tallied the virial, but they didn't on this timestep.  See the
-variable doc page for ideas on how to make this work. :dd
-
-{Per-processor system is too big} :dt
-
-The number of owned atoms plus ghost atoms on a single
-processor must fit in 32-bit integer. :dd
-
-{Potential energy ID for fix neb does not exist} :dt
-
-Self-explanatory. :dd
-
-{Potential energy ID for fix nvt/nph/npt does not exist} :dt
-
-A compute for potential energy must be defined. :dd
-
-{Potential file has duplicate entry} :dt
-
-The potential file has more than one entry for the same element. :dd
-
-{Potential file is missing an entry} :dt
-
-The potential file does not have a needed entry. :dd
-
-{Power by 0 in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Pressure ID for fix box/relax does not exist} :dt
-
-The compute ID needed to compute pressure for the fix does not
-exist. :dd
-
-{Pressure ID for fix modify does not exist} :dt
-
-Self-explanatory. :dd
-
-{Pressure ID for fix npt/nph does not exist} :dt
-
-Self-explanatory. :dd
-
-{Pressure ID for fix press/berendsen does not exist} :dt
-
-The compute ID needed to compute pressure for the fix does not
-exist. :dd
-
-{Pressure ID for fix rigid npt/nph does not exist} :dt
-
-Self-explanatory. :dd
-
-{Pressure ID for thermo does not exist} :dt
-
-The compute ID needed to compute pressure for thermodynamics does not
-exist. :dd
-
-{Pressure control can not be used with fix nvt} :dt
-
-Self-explanatory. :dd
-
-{Pressure control can not be used with fix nvt/asphere} :dt
-
-Self-explanatory. :dd
-
-{Pressure control can not be used with fix nvt/body} :dt
-
-Self-explanatory. :dd
-
-{Pressure control can not be used with fix nvt/sllod} :dt
-
-Self-explanatory. :dd
-
-{Pressure control can not be used with fix nvt/sphere} :dt
-
-Self-explanatory. :dd
-
-{Pressure control must be used with fix nph} :dt
-
-Self-explanatory. :dd
-
-{Pressure control must be used with fix nph/asphere} :dt
-
-Self-explanatory. :dd
-
-{Pressure control must be used with fix nph/body} :dt
-
-Self-explanatory. :dd
-
-{Pressure control must be used with fix nph/small} :dt
-
-Self-explanatory. :dd
-
-{Pressure control must be used with fix nph/sphere} :dt
-
-Self-explanatory. :dd
-
-{Pressure control must be used with fix nphug} :dt
-
-A pressure control keyword (iso, aniso, tri, x, y, or z) must be
-provided. :dd
-
-{Pressure control must be used with fix npt} :dt
-
-Self-explanatory. :dd
-
-{Pressure control must be used with fix npt/asphere} :dt
-
-Self-explanatory. :dd
-
-{Pressure control must be used with fix npt/body} :dt
-
-Self-explanatory. :dd
-
-{Pressure control must be used with fix npt/sphere} :dt
-
-Self-explanatory. :dd
-
-{Processor count in z must be 1 for 2d simulation} :dt
-
-Self-explanatory. :dd
-
-{Processor partitions do not match number of allocated processors} :dt
-
-The total number of processors in all partitions must match the number
-of processors LAMMPS is running on. :dd
-
-{Processors command after simulation box is defined} :dt
-
-The processors command cannot be used after a read_data, read_restart,
-or create_box command. :dd
-
-{Processors custom grid file is inconsistent} :dt
-
-The vales in the custom file are not consistent with the number of
-processors you are running on or the Px,Py,Pz settings of the
-processors command.  Or there was not a setting for every processor. :dd
-
-{Processors grid numa and map style are incompatible} :dt
-
-Using numa for gstyle in the processors command requires using
-cart for the map option. :dd
-
-{Processors part option and grid style are incompatible} :dt
-
-Cannot use gstyle numa or custom with the part option. :dd
-
-{Processors twogrid requires proc count be a multiple of core count} :dt
-
-Self-explanatory. :dd
-
-{Pstart and Pstop must have the same value} :dt
-
-Self-explanatory. :dd
-
-{Python function evaluation failed} :dt
-
-The Python function did not run successfully and/or did not return a
-value (if it is supposed to return a value).  This is probably due to
-some error condition in the function. :dd
-
-{Python function is not callable} :dt
-
-The provided Python code was run successfully, but it not
-define a callable function with the required name. :dd
-
-{Python invoke of undefined function} :dt
-
-Cannot invoke a function that has not been previously defined. :dd
-
-{Python variable does not match Python function} :dt
-
-This matching is defined by the python-style variable and the python
-command. :dd
-
-{Python variable has no function} :dt
-
-No python command was used to define the function associated with the
-python-style variable. :dd
-
-{QEQ with 'newton pair off' not supported} :dt
-
-See the newton command.  This is a restriction to use the QEQ fixes. :dd
-
-{R0 < 0 for fix spring command} :dt
-
-Equilibrium spring length is invalid. :dd
-
-{RATTLE coordinate constraints are not satisfied up to desired tolerance} :dt
-
-Self-explanatory. :dd
-
-{RATTLE determinant = 0.0} :dt
-
-The determinant of the matrix being solved for a single cluster
-specified by the fix rattle command is numerically invalid. :dd
-
-{RATTLE failed} :dt
-
-Certain constraints were not satisfied. :dd
-
-{RATTLE velocity constraints are not satisfied up to desired tolerance} :dt
-
-Self-explanatory. :dd
-
-{Read data add offset is too big} :dt
-
-It cannot be larger than the size of atom IDs, e.g. the maximum 32-bit
-integer. :dd
-
-{Read dump of atom property that isn't allocated} :dt
-
-Self-explanatory. :dd
-
-{Read rerun dump file timestep > specified stop} :dt
-
-Self-explanatory. :dd
-
-{Read restart MPI-IO input not allowed with % in filename} :dt
-
-This is because a % signifies one file per processor and MPI-IO
-creates one large file for all processors. :dd
-
-{Read_data shrink wrap did not assign all atoms correctly} :dt
-
-This is typically because the box-size specified in the data file is
-large compared to the actual extent of atoms in a shrink-wrapped
-dimension.  When LAMMPS shrink-wraps the box atoms will be lost if the
-processor they are re-assigned to is too far away.  Choose a box
-size closer to the actual extent of the atoms. :dd
-
-{Read_dump command before simulation box is defined} :dt
-
-The read_dump command cannot be used before a read_data, read_restart,
-or create_box command. :dd
-
-{Read_dump field not found in dump file} :dt
-
-Self-explanatory. :dd
-
-{Read_dump triclinic status does not match simulation} :dt
-
-Both the dump snapshot and the current LAMMPS simulation must
-be using either an orthogonal or triclinic box. :dd
-
-{Read_dump xyz fields do not have consistent scaling/wrapping} :dt
-
-Self-explanatory. :dd
-
-{Reading from MPI-IO filename when MPIIO package is not installed} :dt
-
-Self-explanatory. :dd
-
-{Reax_defs.h setting for NATDEF is too small} :dt
-
-Edit the setting in the ReaxFF library and re-compile the
-library and re-build LAMMPS. :dd
-
-{Reax_defs.h setting for NNEIGHMAXDEF is too small} :dt
-
-Edit the setting in the ReaxFF library and re-compile the
-library and re-build LAMMPS. :dd
-
-{Receiving partition in processors part command is already a receiver} :dt
-
-Cannot specify a partition to be a receiver twice. :dd
-
-{Region ID for compute chunk/atom does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for compute reduce/region does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for compute temp/region does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for dump custom does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix addforce does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix atom/swap does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix ave/spatial does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix aveforce does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix deposit does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix efield does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix evaporate does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix gcmc does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix heat does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix setforce does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for fix wall/region does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID for group dynamic does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region ID in variable formula does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region cannot have 0 length rotation vector} :dt
-
-Self-explanatory. :dd
-
-{Region for fix oneway does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region intersect region ID does not exist} :dt
-
-Self-explanatory. :dd
-
-{Region union or intersect cannot be dynamic} :dt
-
-The sub-regions can be dynamic, but not the combined region. :dd
-
-{Region union region ID does not exist} :dt
-
-One or more of the region IDs specified by the region union command
-does not exist. :dd
-
-{Replacing a fix, but new style != old style} :dt
-
-A fix ID can be used a 2nd time, but only if the style matches the
-previous fix.  In this case it is assumed you with to reset a fix's
-parameters.  This error may mean you are mistakenly re-using a fix ID
-when you do not intend to. :dd
-
-{Replicate command before simulation box is defined} :dt
-
-The replicate command cannot be used before a read_data, read_restart,
-or create_box command. :dd
-
-{Replicate did not assign all atoms correctly} :dt
-
-Atoms replicated by the replicate command were not assigned correctly
-to processors.  This is likely due to some atom coordinates being
-outside a non-periodic simulation box. :dd
-
-{Replicated system atom IDs are too big} :dt
-
-See the setting for tagint in the src/lmptype.h file. :dd
-
-{Replicated system is too big} :dt
-
-See the setting for bigint in the src/lmptype.h file. :dd
-
-{Required border comm not yet implemented with Kokkos} :dt
-
-There are various limitations in the communication options supported
-by Kokkos. :dd
-
-{Rerun command before simulation box is defined} :dt
-
-The rerun command cannot be used before a read_data, read_restart, or
-create_box command. :dd
-
-{Rerun dump file does not contain requested snapshot} :dt
-
-Self-explanatory. :dd
-
-{Resetting timestep size is not allowed with fix move} :dt
-
-This is because fix move is moving atoms based on elapsed time. :dd
-
-{Respa inner cutoffs are invalid} :dt
-
-The first cutoff must be <= the second cutoff. :dd
-
-{Respa levels must be >= 1} :dt
-
-Self-explanatory. :dd
-
-{Respa middle cutoffs are invalid} :dt
-
-The first cutoff must be <= the second cutoff. :dd
-
-{Restart file MPI-IO output not allowed with % in filename} :dt
-
-This is because a % signifies one file per processor and MPI-IO
-creates one large file for all processors. :dd
-
-{Restart file byte ordering is not recognized} :dt
-
-The file does not appear to be a LAMMPS restart file since it doesn't
-contain a recognized byte-ordering flag at the beginning. :dd
-
-{Restart file byte ordering is swapped} :dt
-
-The file was written on a machine with different byte-ordering than
-the machine you are reading it on.  Convert it to a text data file
-instead, on the machine you wrote it on. :dd
-
-{Restart file incompatible with current version} :dt
-
-This is probably because you are trying to read a file created with a
-version of LAMMPS that is too old compared to the current version.
-Use your older version of LAMMPS and convert the restart file
-to a data file. :dd
-
-{Restart file is a MPI-IO file} :dt
-
-The file is inconsistent with the filename you specified for it. :dd
-
-{Restart file is a multi-proc file} :dt
-
-The file is inconsistent with the filename you specified for it. :dd
-
-{Restart file is not a MPI-IO file} :dt
-
-The file is inconsistent with the filename you specified for it. :dd
-
-{Restart file is not a multi-proc file} :dt
-
-The file is inconsistent with the filename you specified for it. :dd
-
-{Restart variable returned a bad timestep} :dt
-
-The variable must return a timestep greater than the current timestep. :dd
-
-{Restrain atoms %d %d %d %d missing on proc %d at step %ld} :dt
-
-The 4 atoms in a restrain dihedral specified by the fix restrain
-command are not all accessible to a processor.  This probably means an
-atom has moved too far. :dd
-
-{Restrain atoms %d %d %d missing on proc %d at step %ld} :dt
-
-The 3 atoms in a restrain angle specified by the fix restrain
-command are not all accessible to a processor.  This probably means an
-atom has moved too far. :dd
-
-{Restrain atoms %d %d missing on proc %d at step %ld} :dt
-
-The 2 atoms in a restrain bond specified by the fix restrain
-command are not all accessible to a processor.  This probably means an
-atom has moved too far. :dd
-
-{Reuse of compute ID} :dt
-
-A compute ID cannot be used twice. :dd
-
-{Reuse of dump ID} :dt
-
-A dump ID cannot be used twice. :dd
-
-{Reuse of molecule template ID} :dt
-
-The template IDs must be unique. :dd
-
-{Reuse of region ID} :dt
-
-A region ID cannot be used twice. :dd
-
-{Rigid body atoms %d %d missing on proc %d at step %ld} :dt
-
-This means that an atom cannot find the atom that owns the rigid body
-it is part of, or vice versa.  The solution is to use the communicate
-cutoff command to insure ghost atoms are acquired from far enough away
-to encompass the max distance printed when the fix rigid/small command
-was invoked. :dd
-
-{Rigid body has degenerate moment of inertia} :dt
-
-Fix poems will only work with bodies (collections of atoms) that have
-non-zero principal moments of inertia.  This means they must be 3 or
-more non-collinear atoms, even with joint atoms removed. :dd
-
-{Rigid fix must come before NPT/NPH fix} :dt
-
-NPT/NPH fix must be defined in input script after all rigid fixes,
-else the rigid fix contribution to the pressure virial is
-incorrect. :dd
-
-{Rmask function in equal-style variable formula} :dt
-
-Rmask is per-atom operation. :dd
-
-{Run command before simulation box is defined} :dt
-
-The run command cannot be used before a read_data, read_restart, or
-create_box command. :dd
-
-{Run command start value is after start of run} :dt
-
-Self-explanatory. :dd
-
-{Run command stop value is before end of run} :dt
-
-Self-explanatory. :dd
-
-{Run_style command before simulation box is defined} :dt
-
-The run_style command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{SRD bin size for fix srd differs from user request} :dt
-
-Fix SRD had to adjust the bin size to fit the simulation box.  See the
-cubic keyword if you want this message to be an error vs warning. :dd
-
-{SRD bins for fix srd are not cubic enough} :dt
-
-The bin shape is not within tolerance of cubic.  See the cubic
-keyword if you want this message to be an error vs warning. :dd
-
-{SRD particle %d started inside big particle %d on step %ld bounce %d} :dt
-
-See the inside keyword if you want this message to be an error vs
-warning. :dd
-
-{SRD particle %d started inside wall %d on step %ld bounce %d} :dt
-
-See the inside keyword if you want this message to be an error vs
-warning. :dd
-
-{Same dimension twice in fix ave/spatial} :dt
-
-Self-explanatory. :dd
-
-{Sending partition in processors part command is already a sender} :dt
-
-Cannot specify a partition to be a sender twice. :dd
-
-{Set command before simulation box is defined} :dt
-
-The set command cannot be used before a read_data, read_restart,
-or create_box command. :dd
-
-{Set command floating point vector does not exist} :dt
-
-Self-explanatory. :dd
-
-{Set command integer vector does not exist} :dt
-
-Self-explanatory. :dd
-
-{Set command with no atoms existing} :dt
-
-No atoms are yet defined so the set command cannot be used. :dd
-
-{Set region ID does not exist} :dt
-
-Region ID specified in set command does not exist. :dd
-
-{Shake angles have different bond types} :dt
-
-All 3-atom angle-constrained SHAKE clusters specified by the fix shake
-command that are the same angle type, must also have the same bond
-types for the 2 bonds in the angle. :dd
-
-{Shake atoms %d %d %d %d missing on proc %d at step %ld} :dt
-
-The 4 atoms in a single shake cluster specified by the fix shake
-command are not all accessible to a processor.  This probably means
-an atom has moved too far. :dd
-
-{Shake atoms %d %d %d missing on proc %d at step %ld} :dt
-
-The 3 atoms in a single shake cluster specified by the fix shake
-command are not all accessible to a processor.  This probably means
-an atom has moved too far. :dd
-
-{Shake atoms %d %d missing on proc %d at step %ld} :dt
-
-The 2 atoms in a single shake cluster specified by the fix shake
-command are not all accessible to a processor.  This probably means
-an atom has moved too far. :dd
-
-{Shake cluster of more than 4 atoms} :dt
-
-A single cluster specified by the fix shake command can have no more
-than 4 atoms. :dd
-
-{Shake clusters are connected} :dt
-
-A single cluster specified by the fix shake command must have a single
-central atom with up to 3 other atoms bonded to it. :dd
-
-{Shake determinant = 0.0} :dt
-
-The determinant of the matrix being solved for a single cluster
-specified by the fix shake command is numerically invalid. :dd
-
-{Shake fix must come before NPT/NPH fix} :dt
-
-NPT fix must be defined in input script after SHAKE fix, else the
-SHAKE fix contribution to the pressure virial is incorrect. :dd
-
-{Shear history overflow, boost neigh_modify one} :dt
-
-There are too many neighbors of a single atom.  Use the neigh_modify
-command to increase the max number of neighbors allowed for one atom.
-You may also want to boost the page size. :dd
-
-{Small to big integers are not sized correctly} :dt
-
-This error occurs when the sizes of smallint, imageint, tagint, bigint,
-as defined in src/lmptype.h are not what is expected.  Contact
-the developers if this occurs. :dd
-
-{Smallint setting in lmptype.h is invalid} :dt
-
-It has to be the size of an integer. :dd
-
-{Smallint setting in lmptype.h is not compatible} :dt
-
-Smallint stored in restart file is not consistent with LAMMPS version
-you are running. :dd
-
-{Special list size exceeded in fix bond/create} :dt
-
-See the "read_data extra/special/per/atom" command
-(or the "create_box extra/special/per/atom" command)
-for info on how to leave space in the special bonds
-list to allow for additional bonds to be formed. :dd
-
-{Species XXX is not supported by this KIM Simulator Model} :dt
-
-The kim_style define command was referencing a species that is not
-present in the requested KIM Simulator Model. :dd
-
-{Specified processors != physical processors} :dt
-
-The 3d grid of processors defined by the processors command does not
-match the number of processors LAMMPS is being run on. :dd
-
-{Specified target stress must be uniaxial or hydrostatic} :dt
-
-Self-explanatory. :dd
-
-{Sqrt of negative value in variable formula} :dt
-
-Self-explanatory. :dd
-
-{Subsequent read data induced too many angles per atom} :dt
-
-See the extra/angle/per/atom keyword for the create_box
-or the read_data command to set this limit larger :dd
-
-{Subsequent read data induced too many bonds per atom} :dt
-
-See the extra/bond/per/atom keyword for the create_box
-or the read_data command to set this limit larger :dd
-
-{Subsequent read data induced too many dihedrals per atom} :dt
-
-See the extra/dihedral/per/atom keyword for the create_box
-or the read_data command to set this limit larger :dd
-
-{Subsequent read data induced too many impropers per atom} :dt
-
-See the extra/improper/per/atom keyword for the create_box
-or the read_data command to set this limit larger :dd
-
-{Substitution for illegal variable} :dt
-
-Input script line contained a variable that could not be substituted
-for. :dd
-
-{Support for writing images in JPEG format not included} :dt
-
-LAMMPS was not built with the -DLAMMPS_JPEG switch in the Makefile. :dd
-
-{Support for writing images in PNG format not included} :dt
-
-LAMMPS was not built with the -DLAMMPS_PNG switch in the Makefile. :dd
-
-{Support for writing movies not included} :dt
-
-LAMMPS was not built with the -DLAMMPS_FFMPEG switch in the Makefile :dd
-
-{System in data file is too big} :dt
-
-See the setting for bigint in the src/lmptype.h file. :dd
-
-{System is not charge neutral, net charge = %g} :dt
-
-The total charge on all atoms on the system is not 0.0.
-For some KSpace solvers this is an error. :dd
-
-{TAD nsteps must be multiple of t_event} :dt
-
-Self-explanatory. :dd
-
-{TIP4P hydrogen has incorrect atom type} :dt
-
-The TIP4P pairwise computation found an H atom whose type does not
-agree with the specified H type. :dd
-
-{TIP4P hydrogen is missing} :dt
-
-The TIP4P pairwise computation failed to find the correct H atom
-within a water molecule. :dd
-
-{TMD target file did not list all group atoms} :dt
-
-The target file for the fix tmd command did not list all atoms in the
-fix group. :dd
-
-{Tad command before simulation box is defined} :dt
-
-Self-explanatory. :dd
-
-{Tagint setting in lmptype.h is invalid} :dt
-
-Tagint must be as large or larger than smallint. :dd
-
-{Tagint setting in lmptype.h is not compatible} :dt
-
-Format of tagint stored in restart file is not consistent with LAMMPS
-version you are running.  See the settings in src/lmptype.h :dd
-
-{Target pressure for fix rigid/nph cannot be < 0.0} :dt
-
-Self-explanatory. :dd
-
-{Target pressure for fix rigid/npt/small cannot be < 0.0} :dt
-
-Self-explanatory. :dd
-
-{Target temperature for fix nvt/npt/nph cannot be 0.0} :dt
-
-Self-explanatory. :dd
-
-{Target temperature for fix rigid/npt cannot be 0.0} :dt
-
-Self-explanatory. :dd
-
-{Target temperature for fix rigid/npt/small cannot be 0.0} :dt
-
-Self-explanatory. :dd
-
-{Target temperature for fix rigid/nvt cannot be 0.0} :dt
-
-Self-explanatory. :dd
-
-{Target temperature for fix rigid/nvt/small cannot be 0.0} :dt
-
-Self-explanatory. :dd
-
-{Temper command before simulation box is defined} :dt
-
-The temper command cannot be used before a read_data, read_restart, or
-create_box command. :dd
-
-{Temperature ID for fix bond/swap does not exist} :dt
-
-Self-explanatory. :dd
-
-{Temperature ID for fix box/relax does not exist} :dt
-
-Self-explanatory. :dd
-
-{Temperature ID for fix nvt/npt does not exist} :dt
-
-Self-explanatory. :dd
-
-{Temperature ID for fix press/berendsen does not exist} :dt
-
-Self-explanatory. :dd
-
-{Temperature ID for fix rigid nvt/npt/nph does not exist} :dt
-
-Self-explanatory. :dd
-
-{Temperature ID for fix temp/berendsen does not exist} :dt
-
-Self-explanatory. :dd
-
-{Temperature ID for fix temp/csld does not exist} :dt
-
-Self-explanatory. :dd
-
-{Temperature ID for fix temp/csvr does not exist} :dt
-
-Self-explanatory. :dd
-
-{Temperature ID for fix temp/rescale does not exist} :dt
-
-Self-explanatory. :dd
-
-{Temperature compute degrees of freedom < 0} :dt
-
-This should not happen if you are calculating the temperature
-on a valid set of atoms. :dd
-
-{Temperature control can not be used with fix nph} :dt
-
-Self-explanatory. :dd
-
-{Temperature control can not be used with fix nph/asphere} :dt
-
-Self-explanatory. :dd
-
-{Temperature control can not be used with fix nph/body} :dt
-
-Self-explanatory. :dd
-
-{Temperature control can not be used with fix nph/sphere} :dt
-
-Self-explanatory. :dd
-
-{Temperature control must be used with fix nphug} :dt
-
-The temp keyword must be provided. :dd
-
-{Temperature control must be used with fix npt} :dt
-
-Self-explanatory. :dd
-
-{Temperature control must be used with fix npt/asphere} :dt
-
-Self-explanatory. :dd
-
-{Temperature control must be used with fix npt/body} :dt
-
-Self-explanatory. :dd
-
-{Temperature control must be used with fix npt/sphere} :dt
-
-Self-explanatory. :dd
-
-{Temperature control must be used with fix nvt} :dt
-
-Self-explanatory. :dd
-
-{Temperature control must be used with fix nvt/asphere} :dt
-
-Self-explanatory. :dd
-
-{Temperature control must be used with fix nvt/body} :dt
-
-Self-explanatory. :dd
-
-{Temperature control must be used with fix nvt/sllod} :dt
-
-Self-explanatory. :dd
-
-{Temperature control must be used with fix nvt/sphere} :dt
-
-Self-explanatory. :dd
-
-{Temperature control must not be used with fix nph/small} :dt
-
-Self-explanatory. :dd
-
-{Temperature for fix nvt/sllod does not have a bias} :dt
-
-The specified compute must compute temperature with a bias. :dd
-
-{Tempering could not find thermo_pe compute} :dt
-
-This compute is created by the thermo command.  It must have been
-explicitly deleted by a uncompute command. :dd
-
-{Tempering fix ID is not defined} :dt
-
-The fix ID specified by the temper command does not exist. :dd
-
-{Tempering temperature fix is not valid} :dt
-
-The fix specified by the temper command is not one that controls
-temperature (nvt or langevin). :dd
-
-{Test_descriptor_string already allocated} :dt
-
-This is an internal error.  Contact the developers. :dd
-
-{The package gpu command is required for gpu styles} :dt
-
-Self-explanatory. :dd
-
-{Thermo and fix not computed at compatible times} :dt
-
-Fixes generate values on specific timesteps.  The thermo output
-does not match these timesteps. :dd
-
-{Thermo compute array is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Thermo compute does not compute array} :dt
-
-Self-explanatory. :dd
-
-{Thermo compute does not compute scalar} :dt
-
-Self-explanatory. :dd
-
-{Thermo compute does not compute vector} :dt
-
-Self-explanatory. :dd
-
-{Thermo compute vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Thermo custom variable cannot be indexed} :dt
-
-Self-explanatory. :dd
-
-{Thermo custom variable is not equal-style variable} :dt
-
-Only equal-style variables can be output with thermodynamics, not
-atom-style variables. :dd
-
-{Thermo every variable returned a bad timestep} :dt
-
-The variable must return a timestep greater than the current timestep. :dd
-
-{Thermo fix array is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Thermo fix does not compute array} :dt
-
-Self-explanatory. :dd
-
-{Thermo fix does not compute scalar} :dt
-
-Self-explanatory. :dd
-
-{Thermo fix does not compute vector} :dt
-
-Self-explanatory. :dd
-
-{Thermo fix vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Thermo keyword in variable requires thermo to use/init pe} :dt
-
-You are using a thermo keyword in a variable that requires
-potential energy to be calculated, but your thermo output
-does not use it.  Add it to your thermo output. :dd
-
-{Thermo keyword in variable requires thermo to use/init press} :dt
-
-You are using a thermo keyword in a variable that requires pressure to
-be calculated, but your thermo output does not use it.  Add it to your
-thermo output. :dd
-
-{Thermo keyword in variable requires thermo to use/init temp} :dt
-
-You are using a thermo keyword in a variable that requires temperature
-to be calculated, but your thermo output does not use it.  Add it to
-your thermo output. :dd
-
-{Thermo style does not use press} :dt
-
-Cannot use thermo_modify to set this parameter since the thermo_style
-is not computing this quantity. :dd
-
-{Thermo style does not use temp} :dt
-
-Cannot use thermo_modify to set this parameter since the thermo_style
-is not computing this quantity. :dd
-
-{Thermo_modify every variable returned a bad timestep} :dt
-
-The returned timestep is less than or equal to the current timestep. :dd
-
-{Thermo_modify int format does not contain d character} :dt
-
-Self-explanatory. :dd
-
-{Thermo_modify pressure ID does not compute pressure} :dt
-
-The specified compute ID does not compute pressure. :dd
-
-{Thermo_modify temperature ID does not compute temperature} :dt
-
-The specified compute ID does not compute temperature. :dd
-
-{Thermo_style command before simulation box is defined} :dt
-
-The thermo_style command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{This variable thermo keyword cannot be used between runs} :dt
-
-Keywords that refer to time (such as cpu, elapsed) do not
-make sense in between runs. :dd
-
-{Threshhold for an atom property that isn't allocated} :dt
-
-A dump threshold has been requested on a quantity that is
-not defined by the atom style used in this simulation. :dd
-
-{Timestep must be >= 0} :dt
-
-Specified timestep is invalid. :dd
-
-{Too big a problem to use velocity create loop all} :dt
-
-The system size must fit in a 32-bit integer to use this option. :dd
-
-{Too big a timestep for dump dcd} :dt
-
-The timestep must fit in a 32-bit integer to use this dump style. :dd
-
-{Too big a timestep for dump xtc} :dt
-
-The timestep must fit in a 32-bit integer to use this dump style. :dd
-
-{Too few bits for lookup table} :dt
-
-Table size specified via pair_modify command does not work with your
-machine's floating point representation. :dd
-
-{Too few lines in %s section of data file} :dt
-
-Self-explanatory. :dd
-
-{Too few values in body lines in data file} :dt
-
-Self-explanatory. :dd
-
-{Too few values in body section of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Too many -pk arguments in command line} :dt
-
-The string formed by concatenating the arguments is too long.  Use a
-package command in the input script instead. :dd
-
-{Too many MSM grid levels} :dt
-
-The max number of MSM grid levels is hardwired to 10. :dd
-
-{Too many args in variable function} :dt
-
-More args are used than any variable function allows. :dd
-
-{Too many atom pairs for pair bop} :dt
-
-The number of atomic pairs exceeds the expected number.  Check your
-atomic structure to ensure that it is realistic. :dd
-
-{Too many atom sorting bins} :dt
-
-This is likely due to an immense simulation box that has blown up
-to a large size. :dd
-
-{Too many atom triplets for pair bop} :dt
-
-The number of three atom groups for angle determinations exceeds the
-expected number.  Check your atomic structure to ensure that it is
-realistic. :dd
-
-{Too many atoms for dump dcd} :dt
-
-The system size must fit in a 32-bit integer to use this dump
-style. :dd
-
-{Too many atoms for dump xtc} :dt
-
-The system size must fit in a 32-bit integer to use this dump
-style. :dd
-
-{Too many atoms to dump sort} :dt
-
-Cannot sort when running with more than 2^31 atoms. :dd
-
-{Too many exponent bits for lookup table} :dt
-
-Table size specified via pair_modify command does not work with your
-machine's floating point representation. :dd
-
-{Too many groups} :dt
-
-The maximum number of atom groups (including the "all" group) is
-given by MAX_GROUP in group.cpp and is 32. :dd
-
-{Too many iterations} :dt
-
-You must use a number of iterations that fit in a 32-bit integer
-for minimization. :dd
-
-{Too many lines in one body in data file - boost MAXBODY} :dt
-
-MAXBODY is a setting at the top of the src/read_data.cpp file.
-Set it larger and re-compile the code. :dd
-
-{Too many local+ghost atoms for neighbor list} :dt
-
-The number of nlocal + nghost atoms on a processor
-is limited by the size of a 32-bit integer with 2 bits
-removed for masking 1-2, 1-3, 1-4 neighbors. :dd
-
-{Too many mantissa bits for lookup table} :dt
-
-Table size specified via pair_modify command does not work with your
-machine's floating point representation. :dd
-
-{Too many masses for fix shake} :dt
-
-The fix shake command cannot list more masses than there are atom
-types. :dd
-
-{Too many molecules for fix poems} :dt
-
-The limit is 2^31 = ~2 billion molecules. :dd
-
-{Too many molecules for fix rigid} :dt
-
-The limit is 2^31 = ~2 billion molecules. :dd
-
-{Too many neighbor bins} :dt
-
-This is likely due to an immense simulation box that has blown up
-to a large size. :dd
-
-{Too many timesteps} :dt
-
-The cumulative timesteps must fit in a 64-bit integer. :dd
-
-{Too many timesteps for NEB} :dt
-
-You must use a number of timesteps that fit in a 32-bit integer
-for NEB. :dd
-
-{Too many total atoms} :dt
-
-See the setting for bigint in the src/lmptype.h file. :dd
-
-{Too many total bits for bitmapped lookup table} :dt
-
-Table size specified via pair_modify command is too large.  Note that
-a value of N generates a 2^N size table. :dd
-
-{Too many values in body lines in data file} :dt
-
-Self-explanatory. :dd
-
-{Too many values in body section of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Too much buffered per-proc info for dump} :dt
-
-The size of the buffered string must fit in a 32-bit integer for a
-dump. :dd
-
-{Too much per-proc info for dump} :dt
-
-Number of local atoms times number of columns must fit in a 32-bit
-integer for dump. :dd
-
-{Tree structure in joint connections} :dt
-
-Fix poems cannot (yet) work with coupled bodies whose joints connect
-the bodies in a tree structure. :dd
-
-{Triclinic box skew is too large} :dt
-
-The displacement in a skewed direction must be less than half the box
-length in that dimension.  E.g. the xy tilt must be between -half and
-+half of the x box length.  This constraint can be relaxed by using
-the box tilt command. :dd
-
-{Tried to convert a double to int, but input_double > INT_MAX} :dt
-
-Self-explanatory. :dd
-
-{Trying to build an occasional neighbor list before initialization completed} :dt
-
-This is not allowed.  Source code caller needs to be modified. :dd
-
-{Two fix ave commands using same compute chunk/atom command in incompatible ways} :dt
-
-They are both attempting to "lock" the chunk/atom command so that the
-chunk assignments persist for some number of timesteps, but are doing
-it in different ways. :dd
-
-{Two groups cannot be the same in fix spring couple} :dt
-
-Self-explanatory. :dd
-
-{Unable to initialize accelerator for use} :dt
-
-There was a problem initializing an accelerator for the gpu package :dd
-
-{Unbalanced quotes in input line} :dt
-
-No matching end double quote was found following a leading double
-quote. :dd
-
-{Unexpected end of -reorder file} :dt
-
-Self-explanatory. :dd
-
-{Unexpected empty line in AngleCoeffs section} :dt
-
-Read a blank line where there should be coefficient data. :dd
-
-{Unexpected empty line in BondCoeffs section} :dt
-
-Read a blank line where there should be coefficient data. :dd
-
-{Unexpected empty line in DihedralCoeffs section} :dt
-
-Read a blank line where there should be coefficient data. :dd
-
-{Unexpected empty line in ImproperCoeffs section} :dt
-
-Read a blank line where there should be coefficient data. :dd
-
-{Unexpected empty line in PairCoeffs section} :dt
-
-Read a blank line where there should be coefficient data. :dd
-
-{Unexpected end of custom file} :dt
-
-Self-explanatory. :dd
-
-{Unexpected end of data file} :dt
-
-LAMMPS hit the end of the data file while attempting to read a
-section.  Something is wrong with the format of the data file. :dd
-
-{Unexpected end of dump file} :dt
-
-A read operation from the file failed. :dd
-
-{Unexpected end of fix rigid file} :dt
-
-A read operation from the file failed. :dd
-
-{Unexpected end of fix rigid/small file} :dt
-
-A read operation from the file failed. :dd
-
-{Unexpected end of molecule file} :dt
-
-Self-explanatory. :dd
-
-{Unexpected end of neb file} :dt
-
-A read operation from the file failed. :dd
-
-{Units command after simulation box is defined} :dt
-
-The units command cannot be used after a read_data, read_restart, or
-create_box command. :dd
-
-{Universe/uloop variable count < # of partitions} :dt
-
-A universe or uloop style variable must specify a number of values >= to the
-number of processor partitions. :dd
-
-{Unrecognized angle style} :dt
-
-The choice of angle style is unknown. :dd
-
-{Unrecognized atom style} :dt
-
-The choice of atom style is unknown. :dd
-
-{Unrecognized body style} :dt
-
-The choice of body style is unknown. :dd
-
-{Unrecognized bond style} :dt
-
-The choice of bond style is unknown. :dd
-
-{Unknown category for info is_active()} :dt
-
-Self-explanatory. :dd
-
-{Unknown category for info is_available()} :dt
-
-Self-explanatory. :dd
-
-{Unknown category for info is_defined()} :dt
-
-Self-explanatory. :dd
-
-{Unrecognized command: %s} :dt
-
-The command is not known to LAMMPS.  Check the input script. :dd
-
-{Unrecognized compute style} :dt
-
-The choice of compute style is unknown. :dd
-
-{Unrecognized dihedral style} :dt
-
-The choice of dihedral style is unknown. :dd
-
-{Unrecognized dump reader style} :dt
-
-The choice of dump reader style via the format keyword is unknown. :dd
-
-{Unrecognized dump style} :dt
-
-The choice of dump style is unknown. :dd
-
-{Unknown error in GPU library} :dt
-
-Self-explanatory. :dd
-
-{Unrecognized fix style} :dt
-
-The choice of fix style is unknown. :dd
-
-{Unknown identifier in data file: %s} :dt
-
-A section of the data file cannot be read by LAMMPS. :dd
-
-{Unrecognized improper style} :dt
-
-The choice of improper style is unknown. :dd
-
-{Unknown keyword in thermo_style custom command} :dt
-
-One or more specified keywords are not recognized. :dd
-
-{Unrecognized kspace style} :dt
-
-The choice of kspace style is unknown. :dd
-
-{Unknown name for info newton category} :dt
-
-Self-explanatory. :dd
-
-{Unknown name for info package category} :dt
-
-Self-explanatory. :dd
-
-{Unknown name for info pair category} :dt
-
-Self-explanatory. :dd
-
-{Unrecognized pair style} :dt
-
-The choice of pair style is unknown. :dd
-
-{Unknown pair_modify hybrid sub-style} :dt
-
-The choice of sub-style is unknown. :dd
-
-{Unrecognized region style} :dt
-
-The choice of region style is unknown. :dd
-
-{Unknown section in molecule file} :dt
-
-Self-explanatory. :dd
-
-{Unknown table style in angle style table} :dt
-
-Self-explanatory. :dd
-
-{Unknown table style in bond style table} :dt
-
-Self-explanatory. :dd
-
-{Unknown table style in pair_style command} :dt
-
-Style of table is invalid for use with pair_style table command. :dd
-
-{Unknown unit_style} :dt
-
-Self-explanatory. Check the input script or data file. :dd
-
-{Unrecognized lattice type in MEAM file 1} :dt
-
-The lattice type in an entry of the MEAM library file is not
-valid. :dd
-
-{Unrecognized lattice type in MEAM file 2} :dt
-
-The lattice type in an entry of the MEAM parameter file is not
-valid. :dd
-
-{Unrecognized pair style in compute pair command} :dt
-
-Self-explanatory. :dd
-
-{Unsupported mixing rule in kspace_style ewald/disp} :dt
-
-Only geometric mixing is supported. :dd
-
-{Unsupported order in kspace_style ewald/disp} :dt
-
-Only 1/r^6 dispersion or dipole terms are supported. :dd
-
-{Unsupported order in kspace_style pppm/disp, pair_style %s} :dt
-
-Only pair styles with 1/r and 1/r^6 dependence are currently supported. :dd
-
-{Use cutoff keyword to set cutoff in single mode} :dt
-
-Mode is single so cutoff/multi keyword cannot be used. :dd
-
-{Use cutoff/multi keyword to set cutoff in multi mode} :dt
-
-Mode is multi so cutoff keyword cannot be used. :dd
-
-{Using fix nvt/sllod with inconsistent fix deform remap option} :dt
-
-Fix nvt/sllod requires that deforming atoms have a velocity profile
-provided by "remap v" as a fix deform option. :dd
-
-{Using fix nvt/sllod with no fix deform defined} :dt
-
-Self-explanatory. :dd
-
-{Using fix srd with inconsistent fix deform remap option} :dt
-
-When shearing the box in an SRD simulation, the remap v option for fix
-deform needs to be used. :dd
-
-{Using pair lubricate with inconsistent fix deform remap option} :dt
-
-Must use remap v option with fix deform with this pair style. :dd
-
-{Using pair lubricate/poly with inconsistent fix deform remap option} :dt
-
-If fix deform is used, the remap v option is required. :dd
-
-{Using suffix gpu without GPU package installed} :dt
-
-Self-explanatory. :dd
-
-{Using suffix intel without USER-INTEL package installed} :dt
-
-Self-explanatory. :dd
-
-{Using suffix kk without KOKKOS package enabled} :dt
-
-Self-explanatory. :dd
-
-{Using suffix omp without USER-OMP package installed} :dt
-
-Self-explanatory. :dd
-
-{Using update dipole flag requires atom attribute mu} :dt
-
-Self-explanatory. :dd
-
-{Using update dipole flag requires atom style sphere} :dt
-
-Self-explanatory. :dd
-
-{Variable ID in variable formula does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable atom ID is too large} :dt
-
-Specified ID is larger than the maximum allowed atom ID. :dd
-
-{Variable evaluation before simulation box is defined} :dt
-
-Cannot evaluate a compute or fix or atom-based value in a variable
-before the simulation has been setup. :dd
-
-{Variable evaluation in fix wall gave bad value} :dt
-
-The returned value for epsilon or sigma < 0.0. :dd
-
-{Variable evaluation in region gave bad value} :dt
-
-Variable returned a radius < 0.0. :dd
-
-{Variable for compute ti is invalid style} :dt
-
-Self-explanatory. :dd
-
-{Variable for create_atoms is invalid style} :dt
-
-The variables must be equal-style variables. :dd
-
-{Variable for displace_atoms is invalid style} :dt
-
-It must be an equal-style or atom-style variable. :dd
-
-{Variable for dump every is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for dump image center is invalid style} :dt
-
-Must be an equal-style variable. :dd
-
-{Variable for dump image persp is invalid style} :dt
-
-Must be an equal-style variable. :dd
-
-{Variable for dump image phi is invalid style} :dt
-
-Must be an equal-style variable. :dd
-
-{Variable for dump image theta is invalid style} :dt
-
-Must be an equal-style variable. :dd
-
-{Variable for dump image zoom is invalid style} :dt
-
-Must be an equal-style variable. :dd
-
-{Variable for fix adapt is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix addforce is invalid style} :dt
-
-Self-explanatory. :dd
-
-{Variable for fix aveforce is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix deform is invalid style} :dt
-
-The variable must be an equal-style variable. :dd
-
-{Variable for fix efield is invalid style} :dt
-
-The variable must be an equal- or atom-style variable. :dd
-
-{Variable for fix gravity is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix heat is invalid style} :dt
-
-Only equal-style or atom-style variables can be used. :dd
-
-{Variable for fix indent is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix indent is not equal style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix langevin is invalid style} :dt
-
-It must be an equal-style variable. :dd
-
-{Variable for fix move is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix setforce is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix temp/berendsen is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix temp/csld is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix temp/csvr is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix temp/rescale is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix wall is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix wall/reflect is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for fix wall/srd is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for group dynamic is invalid style} :dt
-
-The variable must be an atom-style variable. :dd
-
-{Variable for group is invalid style} :dt
-
-Only atom-style variables can be used. :dd
-
-{Variable for region cylinder is invalid style} :dt
-
-Only equal-style variables are allowed. :dd
-
-{Variable for region is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for region is not equal style} :dt
-
-Self-explanatory. :dd
-
-{Variable for region sphere is invalid style} :dt
-
-Only equal-style variables are allowed. :dd
-
-{Variable for restart is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for set command is invalid style} :dt
-
-Only atom-style variables can be used. :dd
-
-{Variable for thermo every is invalid style} :dt
-
-Only equal-style variables can be used. :dd
-
-{Variable for velocity set is invalid style} :dt
-
-Only atom-style variables can be used. :dd
-
-{Variable for voronoi radius is not atom style} :dt
-
-Self-explanatory. :dd
-
-{Variable formula compute array is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Variable formula compute vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Variable formula fix array is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Variable formula fix vector is accessed out-of-range} :dt
-
-Self-explanatory. :dd
-
-{Variable has circular dependency} :dt
-
-A circular dependency is when variable "a" in used by variable "b" and
-variable "b" is also used by variable "a".  Circular dependencies with
-longer chains of dependence are also not allowed. :dd
-
-{Variable name between brackets must be alphanumeric or underscore characters} :dt
-
-Self-explanatory. :dd
-
-{Variable name for compute chunk/atom does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for compute reduce does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for compute ti does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for create_atoms does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for displace_atoms does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for dump every does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for dump image center does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for dump image persp does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for dump image phi does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for dump image theta does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for dump image zoom does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix adapt does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix addforce does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix ave/atom does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix ave/chunk does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix ave/correlate does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix ave/histo does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix ave/spatial does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix ave/time does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix aveforce does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix deform does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix efield does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix gravity does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix heat does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix indent does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix langevin does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix move does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix setforce does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix store/state does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix temp/berendsen does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix temp/csld does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix temp/csvr does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix temp/rescale does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix vector does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix wall does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix wall/reflect does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for fix wall/srd does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for group does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for group dynamic does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for region cylinder does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for region does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for region sphere does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for restart does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for set command does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for thermo every does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for velocity set does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name for voronoi radius does not exist} :dt
-
-Self-explanatory. :dd
-
-{Variable name must be alphanumeric or underscore characters} :dt
-
-Self-explanatory. :dd
-
-{Variable uses atom property that isn't allocated} :dt
-
-Self-explanatory. :dd
-
-{Velocity command before simulation box is defined} :dt
-
-The velocity command cannot be used before a read_data, read_restart,
-or create_box command. :dd
-
-{Velocity command with no atoms existing} :dt
-
-A velocity command has been used, but no atoms yet exist. :dd
-
-{Velocity ramp in z for a 2d problem} :dt
-
-Self-explanatory. :dd
-
-{Velocity rigid used with non-rigid fix-ID} :dt
-
-Self-explanatory. :dd
-
-{Velocity temperature ID does calculate a velocity bias} :dt
-
-The specified compute must compute a bias for temperature. :dd
-
-{Velocity temperature ID does not compute temperature} :dt
-
-The compute ID given to the velocity command must compute
-temperature. :dd
-
-{Verlet/split can only currently be used with comm_style brick} :dt
-
-This is a current restriction in LAMMPS. :dd
-
-{Verlet/split does not yet support TIP4P} :dt
-
-This is a current limitation. :dd
-
-{Verlet/split requires 2 partitions} :dt
-
-See the -partition command-line switch. :dd
-
-{Verlet/split requires Rspace partition layout be multiple of Kspace partition layout in each dim} :dt
-
-This is controlled by the processors command. :dd
-
-{Verlet/split requires Rspace partition size be multiple of Kspace partition size} :dt
-
-This is so there is an equal number of Rspace processors for every
-Kspace processor. :dd
-
-{Virial was not tallied on needed timestep} :dt
-
-You are using a thermo keyword that requires potentials to
-have tallied the virial, but they didn't on this timestep.  See the
-variable doc page for ideas on how to make this work. :dd
-
-{Voro++ error: narea and neigh have a different size} :dt
-
-This error is returned by the Voro++ library. :dd
-
-{Wall defined twice in fix wall command} :dt
-
-Self-explanatory. :dd
-
-{Wall defined twice in fix wall/reflect command} :dt
-
-Self-explanatory. :dd
-
-{Wall defined twice in fix wall/srd command} :dt
-
-Self-explanatory. :dd
-
-{Water H epsilon must be 0.0 for pair style lj/cut/tip4p/cut} :dt
-
-This is because LAMMPS does not compute the Lennard-Jones interactions
-with these particles for efficiency reasons. :dd
-
-{Water H epsilon must be 0.0 for pair style lj/cut/tip4p/long} :dt
-
-This is because LAMMPS does not compute the Lennard-Jones interactions
-with these particles for efficiency reasons. :dd
-
-{Water H epsilon must be 0.0 for pair style lj/long/tip4p/long} :dt
-
-This is because LAMMPS does not compute the Lennard-Jones interactions
-with these particles for efficiency reasons. :dd
-
-{World variable count doesn't match # of partitions} :dt
-
-A world-style variable must specify a number of values equal to the
-number of processor partitions. :dd
-
-{Write_data command before simulation box is defined} :dt
-
-Self-explanatory. :dd
-
-{Write_restart command before simulation box is defined} :dt
-
-The write_restart command cannot be used before a read_data,
-read_restart, or create_box command. :dd
-
-{Writing to MPI-IO filename when MPIIO package is not installed} :dt
-
-Self-explanatory. :dd
-
-{Zero length rotation vector with displace_atoms} :dt
-
-Self-explanatory. :dd
-
-{Zero length rotation vector with fix move} :dt
-
-Self-explanatory. :dd
-
-{Zero-length lattice orient vector} :dt
-
-Self-explanatory. :dd
-
-:dle
diff --git a/doc/txt/Errors_warnings.txt b/doc/txt/Errors_warnings.txt
deleted file mode 100644
index cb22b7ad0c..0000000000
--- a/doc/txt/Errors_warnings.txt
+++ /dev/null
@@ -1,989 +0,0 @@
-"Higher level section"_Errors.html - "LAMMPS WWW Site"_lws - "LAMMPS
-Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-Warning messages :h3
-
-This is an alphabetic list of the WARNING messages LAMMPS prints out
-and the reason why.  If the explanation here is not sufficient, the
-documentation for the offending command may help.  Warning messages
-also list the source file and line number where the warning was
-generated.  For example, a message like this:
-
-WARNING: Bond atom missing in box size check (domain.cpp:187) :pre
-
-means that line #187 in the file src/domain.cpp generated the error.
-Looking in the source code may help you figure out what went wrong.
-
-Note that warning messages from "user-contributed
-packages"_Packages_user.html are not listed here.  If such a warning
-occurs and is not self-explanatory, you'll need to look in the source
-code or contact the author of the package.
-
-Doc page with "ERROR messages"_Errors_messages.html
-
-:line
-
-:dlb
-
-{Adjusting Coulombic cutoff for MSM, new cutoff = %g} :dt
-
-The adjust/cutoff command is turned on and the Coulombic cutoff has been
-adjusted to match the user-specified accuracy. :dd
-
-{Angle atoms missing at step %ld} :dt
-
-One or more of 3 atoms needed to compute a particular angle are
-missing on this processor.  Typically this is because the pairwise
-cutoff is set too short or the angle has blown apart and an atom is
-too far away. :dd
-
-{Angle style in data file differs from currently defined angle style} :dt
-
-Self-explanatory. :dd
-
-{Angles are defined but no angle style is set} :dt
-
-The topology contains angles, but there are no angle forces computed
-since there was no angle_style command. :dd
-
-{Atom style in data file differs from currently defined atom style} :dt
-
-Self-explanatory. :dd
-
-{Bond atom missing in box size check} :dt
-
-The 2nd atoms needed to compute a particular bond is missing on this
-processor.  Typically this is because the pairwise cutoff is set too
-short or the bond has blown apart and an atom is too far away. :dd
-
-{Bond atom missing in image check} :dt
-
-The 2nd atom in a particular bond is missing on this processor.
-Typically this is because the pairwise cutoff is set too short or the
-bond has blown apart and an atom is too far away. :dd
-
-{Bond atoms missing at step %ld} :dt
-
-The 2nd atom needed to compute a particular bond is missing on this
-processor.  Typically this is because the pairwise cutoff is set too
-short or the bond has blown apart and an atom is too far away. :dd
-
-{Bond style in data file differs from currently defined bond style} :dt
-
-Self-explanatory. :dd
-
-{Bonds are defined but no bond style is set} :dt
-
-The topology contains bonds, but there are no bond forces computed
-since there was no bond_style command. :dd
-
-{Bond/angle/dihedral extent > half of periodic box length} :dt
-
-This is a restriction because LAMMPS can be confused about which image
-of an atom in the bonded interaction is the correct one to use.
-"Extent" in this context means the maximum end-to-end length of the
-bond/angle/dihedral.  LAMMPS computes this by taking the maximum bond
-length, multiplying by the number of bonds in the interaction (e.g. 3
-for a dihedral) and adding a small amount of stretch. :dd
-
-{Bond/react: Atom affected by reaction too close to template edge} :dt
-
-This means an atom which changes type or connectivity during the
-reaction is too close to an 'edge' atom defined in the superimpose
-file. This could cause incorrect assignment of bonds, angle, etc.
-Generally, this means you must include more atoms in your templates,
-such that there are at least two atoms between each atom involved in
-the reaction and an edge atom. :dd
-
-{Both groups in compute group/group have a net charge; the Kspace boundary correction to energy will be non-zero} :dt
-
-Self-explanatory. :dd
-
-{Calling write_dump before a full system init.} :dt
-
-The write_dump command is used before the system has been fully
-initialized as part of a 'run' or 'minimize' command. Not all dump
-styles and features are fully supported at this point and thus the
-command may fail or produce incomplete or incorrect output. Insert
-a "run 0" command, if a full system init is required. :dd
-
-{Cannot count rigid body degrees-of-freedom before bodies are fully initialized} :dt
-
-This means the temperature associated with the rigid bodies may be
-incorrect on this timestep. :dd
-
-{Cannot count rigid body degrees-of-freedom before bodies are initialized} :dt
-
-This means the temperature associated with the rigid bodies may be
-incorrect on this timestep. :dd
-
-{Cannot include log terms without 1/r terms; setting flagHI to 1} :dt
-
-Self-explanatory. :dd
-
-{Cannot include log terms without 1/r terms; setting flagHI to 1.} :dt
-
-Self-explanatory. :dd
-
-{Charges are set, but coulombic solver is not used} :dt
-
-Self-explanatory. :dd
-
-{Charges did not converge at step %ld: %lg} :dt
-
-Self-explanatory. :dd
-
-{Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost} :dt
-
-The communication cutoff defaults to the maximum of what is inferred from
-pair and bond styles (will be zero, if none are defined) and what is specified
-via "comm_modify cutoff"_comm_modify.html (defaults to 0.0).  If this results
-to 0.0, no ghost atoms will be generated and LAMMPS may lose atoms or use
-incorrect periodic images of atoms in interaction lists.  To avoid, either use
-"pair style zero"_pair_zero.html with a suitable cutoff or use "comm_modify
-cutoff"_comm_modify.html. :dd
-
-{Communication cutoff is too small for SNAP micro load balancing, increased to %lf} :dt
-
-Self-explanatory. :dd
-
-{Compute cna/atom cutoff may be too large to find ghost atom neighbors} :dt
-
-The neighbor cutoff used may not encompass enough ghost atoms
-to perform this operation correctly. :dd
-
-{Computing temperature of portions of rigid bodies} :dt
-
-The group defined by the temperature compute does not encompass all
-the atoms in one or more rigid bodies, so the change in
-degrees-of-freedom for the atoms in those partial rigid bodies will
-not be accounted for. :dd
-
-{Create_bonds max distance > minimum neighbor cutoff} :dt
-
-This means atom pairs for some atom types may not be in the neighbor
-list and thus no bond can be created between them. :dd
-
-{Delete_atoms cutoff > minimum neighbor cutoff} :dt
-
-This means atom pairs for some atom types may not be in the neighbor
-list and thus an atom in that pair cannot be deleted. :dd
-
-{Dihedral atoms missing at step %ld} :dt
-
-One or more of 4 atoms needed to compute a particular dihedral are
-missing on this processor.  Typically this is because the pairwise
-cutoff is set too short or the dihedral has blown apart and an atom is
-too far away. :dd
-
-{Dihedral problem} :dt
-
-Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry. :dd
-
-{Dihedral problem: %d %ld %d %d %d %d} :dt
-
-Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry. :dd
-
-{Dihedral style in data file differs from currently defined dihedral style} :dt
-
-Self-explanatory. :dd
-
-{Dihedrals are defined but no dihedral style is set} :dt
-
-The topology contains dihedrals, but there are no dihedral forces computed
-since there was no dihedral_style command. :dd
-
-{Dump dcd/xtc timestamp may be wrong with fix dt/reset} :dt
-
-If the fix changes the timestep, the dump dcd file will not
-reflect the change. :dd
-
-{Energy due to X extra global DOFs will be included in minimizer energies} :dt
-
-When using fixes like box/relax, the potential energy used by the minimizer
-is augmented by an additional energy provided by the fix. Thus the printed
-converged energy may be different from the total potential energy. :dd
-
-{Estimated error in splitting of dispersion coeffs is %g} :dt
-
-Error is greater than 0.0001 percent. :dd
-
-{Ewald/disp Newton solver failed, using old method to estimate g_ewald} :dt
-
-Self-explanatory. Choosing a different cutoff value may help. :dd
-
-{FENE bond too long} :dt
-
-A FENE bond has stretched dangerously far.  It's interaction strength
-will be truncated to attempt to prevent the bond from blowing up. :dd
-
-{FENE bond too long: %ld %d %d %g} :dt
-
-A FENE bond has stretched dangerously far.  It's interaction strength
-will be truncated to attempt to prevent the bond from blowing up. :dd
-
-{FENE bond too long: %ld %g} :dt
-
-A FENE bond has stretched dangerously far.  It's interaction strength
-will be truncated to attempt to prevent the bond from blowing up. :dd
-
-{Fix SRD walls overlap but fix srd overlap not set} :dt
-
-You likely want to set this in your input script. :dd
-
-{ Fix bond/create is used multiple times or with fix bond/break - may not work as expected} :dt
-
-When using fix bond/create multiple times or in combination with
-fix bond/break, the individual fix instances do not share information
-about changes they made at the same time step and thus it may result
-in unexpected behavior. :dd
-
-{Fix bond/swap will ignore defined angles} :dt
-
-See the doc page for fix bond/swap for more info on this
-restriction. :dd
-
-{Fix deposit near setting < possible overlap separation %g} :dt
-
-This test is performed for finite size particles with a diameter, not
-for point particles.  The near setting is smaller than the particle
-diameter which can lead to overlaps. :dd
-
-{Fix evaporate may delete atom with non-zero molecule ID} :dt
-
-This is probably an error, since you should not delete only one atom
-of a molecule. :dd
-
-{Fix gcmc using full_energy option} :dt
-
-Fix gcmc has automatically turned on the full_energy option since it
-is required for systems like the one specified by the user. User input
-included one or more of the following: kspace, triclinic, a hybrid
-pair style, an eam pair style, or no "single" function for the pair
-style. :dd
-
-{Fix langevin gjf using random gaussians is not implemented with kokkos} :dt
-
-This will most likely cause errors in kinetic fluctuations.
-
-{Fix property/atom mol or charge w/out ghost communication} :dt
-
-A model typically needs these properties defined for ghost atoms. :dd
-
-{Fix qeq CG convergence failed (%g) after %d iterations at %ld step} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq has non-zero lower Taper radius cutoff} :dt
-
-Absolute value must be <= 0.01. :dd
-
-{Fix qeq has very low Taper radius cutoff} :dt
-
-Value should typically be >= 5.0. :dd
-
-{Fix qeq/dynamic tolerance may be too small for damped dynamics} :dt
-
-Self-explanatory. :dd
-
-{Fix qeq/fire tolerance may be too small for damped fires} :dt
-
-Self-explanatory. :dd
-
-{Fix rattle should come after all other integration fixes} :dt
-
-This fix is designed to work after all other integration fixes change
-atom positions.  Thus it should be the last integration fix specified.
-If not, it will not satisfy the desired constraints as well as it
-otherwise would. :dd
-
-{Fix recenter should come after all other integration fixes} :dt
-
-Other fixes may change the position of the center-of-mass, so
-fix recenter should come last. :dd
-
-{Fix srd SRD moves may trigger frequent reneighboring} :dt
-
-This is because the SRD particles may move long distances. :dd
-
-{Fix srd grid size > 1/4 of big particle diameter} :dt
-
-This may cause accuracy problems. :dd
-
-{Fix srd particle moved outside valid domain} :dt
-
-This may indicate a problem with your simulation parameters. :dd
-
-{Fix srd particles may move > big particle diameter} :dt
-
-This may cause accuracy problems. :dd
-
-{Fix srd viscosity < 0.0 due to low SRD density} :dt
-
-This may cause accuracy problems. :dd
-
-{Fixes cannot send data in Kokkos communication, switching to classic communication} :dt
-
-This is current restriction with Kokkos. :dd
-
-{For better accuracy use 'pair_modify table 0'} :dt
-
-The user-specified force accuracy cannot be achieved unless the table
-feature is disabled by using 'pair_modify table 0'. :dd
-
-{Geometric mixing assumed for 1/r^6 coefficients} :dt
-
-Self-explanatory. :dd
-
-{Group for fix_modify temp != fix group} :dt
-
-The fix_modify command is specifying a temperature computation that
-computes a temperature on a different group of atoms than the fix
-itself operates on.  This is probably not what you want to do. :dd
-
-{H matrix size has been exceeded: m_fill=%d H.m=%d\n} :dt
-
-This is the size of the matrix. :dd
-
-{Ignoring unknown or incorrect info command flag} :dt
-
-Self-explanatory.  An unknown argument was given to the info command.
-Compare your input with the documentation. :dd
-
-{Improper atoms missing at step %ld} :dt
-
-One or more of 4 atoms needed to compute a particular improper are
-missing on this processor.  Typically this is because the pairwise
-cutoff is set too short or the improper has blown apart and an atom is
-too far away. :dd
-
-{Improper problem: %d %ld %d %d %d %d} :dt
-
-Conformation of the 4 listed improper atoms is extreme; you may want
-to check your simulation geometry. :dd
-
-{Improper style in data file differs from currently defined improper style} :dt
-
-Self-explanatory. :dd
-
-{Impropers are defined but no improper style is set} :dt
-
-The topology contains impropers, but there are no improper forces computed
-since there was no improper_style command. :dd
-
-{Inconsistent image flags} :dt
-
-The image flags for a pair on bonded atoms appear to be inconsistent.
-Inconsistent means that when the coordinates of the two atoms are
-unwrapped using the image flags, the two atoms are far apart.
-Specifically they are further apart than half a periodic box length.
-Or they are more than a box length apart in a non-periodic dimension.
-This is usually due to the initial data file not having correct image
-flags for the 2 atoms in a bond that straddles a periodic boundary.
-They should be different by 1 in that case.  This is a warning because
-inconsistent image flags will not cause problems for dynamics or most
-LAMMPS simulations.  However they can cause problems when such atoms
-are used with the fix rigid or replicate commands.  Note that if you
-have an infinite periodic crystal with bonds then it is impossible to
-have fully consistent image flags, since some bonds will cross
-periodic boundaries and connect two atoms with the same image
-flag. :dd
-
-{Increasing communication cutoff for GPU style} :dt
-
-The pair style has increased the communication cutoff to be consistent with
-the communication cutoff requirements for this pair style when run on the GPU. :dd
-
-{KIM Model does not provide 'energy'; Potential energy will be zero} :dt
-
-Self-explanatory. :dd
-
-{KIM Model does not provide 'forces'; Forces will be zero} :dt
-
-Self-explanatory. :dd
-
-{KIM Model does not provide 'particleEnergy'; energy per atom will be zero} :dt
-
-Self-explanatory. :dd
-
-{KIM Model does not provide 'particleVirial'; virial per atom will be zero} :dt
-
-Self-explanatory. :dd
-
-{Kspace_modify slab param < 2.0 may cause unphysical behavior} :dt
-
-The kspace_modify slab parameter should be larger to insure periodic
-grids padded with empty space do not overlap. :dd
-
-{Less insertions than requested} :dt
-
-The fix pour command was unsuccessful at finding open space
-for as many particles as it tried to insert. :dd
-
-{Library error in lammps_gather_atoms} :dt
-
-This library function cannot be used if atom IDs are not defined
-or are not consecutively numbered. :dd
-
-{Library error in lammps_scatter_atoms} :dt
-
-This library function cannot be used if atom IDs are not defined or
-are not consecutively numbered, or if no atom map is defined.  See the
-atom_modify command for details about atom maps. :dd
-
-{Likewise 1-2 special neighbor interactions != 1.0} :dt
-
-The topology contains bonds, but there is no bond style defined
-and a 1-2 special neighbor scaling factor was not 1.0. This
-means that pair style interactions may have scaled or missing
-pairs in the neighbor list in expectation of interactions for
-those pairs being computed from the bond style. :dd
-
-{Likewise 1-3 special neighbor interactions != 1.0} :dt
-
-The topology contains angles, but there is no angle style defined
-and a 1-3 special neighbor scaling factor was not 1.0. This
-means that pair style interactions may have scaled or missing
-pairs in the neighbor list in expectation of interactions for
-those pairs being computed from the angle style. :dd
-
-{Likewise 1-4 special neighbor interactions != 1.0} :dt
-
-The topology contains dihedrals, but there is no dihedral style defined
-and a 1-4 special neighbor scaling factor was not 1.0. This
-means that pair style interactions may have scaled or missing
-pairs in the neighbor list in expectation of interactions for
-those pairs being computed from the dihedral style. :dd
-
-{Lost atoms via change_box: original %ld current %ld} :dt
-
-The command options you have used caused atoms to be lost. :dd
-
-{Lost atoms via displace_atoms: original %ld current %ld} :dt
-
-The command options you have used caused atoms to be lost. :dd
-
-{Lost atoms: original %ld current %ld} :dt
-
-Lost atoms are checked for each time thermo output is done.  See the
-thermo_modify lost command for options.  Lost atoms usually indicate
-bad dynamics, e.g. atoms have been blown far out of the simulation
-box, or moved further than one processor's sub-domain away before
-reneighboring. :dd
-
-{MSM mesh too small, increasing to 2 points in each direction} :dt
-
-Self-explanatory. :dd
-
-{Mismatch between velocity and compute groups} :dt
-
-The temperature computation used by the velocity command will not be
-on the same group of atoms that velocities are being set for. :dd
-
-{Mixing forced for lj coefficients} :dt
-
-Self-explanatory. :dd
-
-{Molecule attributes do not match system attributes} :dt
-
-An attribute is specified (e.g. diameter, charge) that is
-not defined for the specified atom style. :dd
-
-{Molecule has bond topology but no special bond settings} :dt
-
-This means the bonded atoms will not be excluded in pair-wise
-interactions. :dd
-
-{Molecule template for create_atoms has multiple molecules} :dt
-
-The create_atoms command will only create molecules of a single type,
-i.e. the first molecule in the template. :dd
-
-{Molecule template for fix gcmc has multiple molecules} :dt
-
-The fix gcmc command will only create molecules of a single type,
-i.e. the first molecule in the template. :dd
-
-{Molecule template for fix shake has multiple molecules} :dt
-
-The fix shake command will only recognize molecules of a single
-type, i.e. the first molecule in the template. :dd
-
-{More than one compute centro/atom} :dt
-
-It is not efficient to use compute centro/atom more than once. :dd
-
-{More than one compute cluster/atom} :dt
-
-It is not efficient to use compute cluster/atom  more than once. :dd
-
-{More than one compute cna/atom defined} :dt
-
-It is not efficient to use compute cna/atom  more than once. :dd
-
-{More than one compute contact/atom} :dt
-
-It is not efficient to use compute contact/atom more than once. :dd
-
-{More than one compute coord/atom} :dt
-
-It is not efficient to use compute coord/atom more than once. :dd
-
-{More than one compute damage/atom} :dt
-
-It is not efficient to use compute ke/atom more than once. :dd
-
-{More than one compute dilatation/atom} :dt
-
-Self-explanatory. :dd
-
-{More than one compute erotate/sphere/atom} :dt
-
-It is not efficient to use compute erorate/sphere/atom more than once. :dd
-
-{More than one compute hexorder/atom} :dt
-
-It is not efficient to use compute hexorder/atom more than once. :dd
-
-{More than one compute ke/atom} :dt
-
-It is not efficient to use compute ke/atom more than once. :dd
-
-{More than one compute orientorder/atom} :dt
-
-It is not efficient to use compute orientorder/atom more than once. :dd
-
-{More than one compute plasticity/atom} :dt
-
-Self-explanatory. :dd
-
-{More than one compute sna/atom} :dt
-
-Self-explanatory. :dd
-
-{More than one compute snad/atom} :dt
-
-Self-explanatory. :dd
-
-{More than one compute snav/atom} :dt
-
-Self-explanatory. :dd
-
-{More than one fix poems} :dt
-
-It is not efficient to use fix poems more than once. :dd
-
-{More than one fix rigid} :dt
-
-It is not efficient to use fix rigid more than once. :dd
-
-{Neighbor exclusions used with KSpace solver may give inconsistent Coulombic energies} :dt
-
-This is because excluding specific pair interactions also excludes
-them from long-range interactions which may not be the desired effect.
-The special_bonds command handles this consistently by insuring
-excluded (or weighted) 1-2, 1-3, 1-4 interactions are treated
-consistently by both the short-range pair style and the long-range
-solver.  This is not done for exclusions of charged atom pairs via the
-neigh_modify exclude command. :dd
-
-{New thermo_style command, previous thermo_modify settings will be lost} :dt
-
-If a thermo_style command is used after a thermo_modify command, the
-settings changed by the thermo_modify command will be reset to their
-default values.  This is because the thermo_modify command acts on
-the currently defined thermo style, and a thermo_style command creates
-a new style. :dd
-
-{No Kspace calculation with verlet/split} :dt
-
-The 2nd partition performs a kspace calculation so the kspace_style
-command must be used. :dd
-
-{No automatic unit conversion to XTC file format conventions possible for units lj} :dt
-
-This means no scaling will be performed. :dd
-
-{No fixes defined, atoms won't move} :dt
-
-If you are not using a fix like nve, nvt, npt then atom velocities and
-coordinates will not be updated during timestepping. :dd
-
-{No joints between rigid bodies, use fix rigid instead} :dt
-
-The bodies defined by fix poems are not connected by joints.  POEMS
-will integrate the body motion, but it would be more efficient to use
-fix rigid. :dd
-
-{Not using real units with pair reax} :dt
-
-This is most likely an error, unless you have created your own ReaxFF
-parameter file in a different set of units. :dd
-
-{Number of MSM mesh points changed to be a multiple of 2} :dt
-
-MSM requires that the number of grid points in each direction be a multiple
-of two and the number of grid points in one or more directions have been
-adjusted to meet this requirement. :dd
-
-{OMP_NUM_THREADS environment is not set.} :dt
-
-This environment variable must be set appropriately to use the
-USER-OMP package. :dd
-
-{One or more atoms are time integrated more than once} :dt
-
-This is probably an error since you typically do not want to
-advance the positions or velocities of an atom more than once
-per timestep. :dd
-
-{One or more chunks do not contain all atoms in molecule} :dt
-
-This may not be what you intended. :dd
-
-{One or more dynamic groups may not be updated at correct point in timestep} :dt
-
-If there are other fixes that act immediately after the initial stage
-of time integration within a timestep (i.e. after atoms move), then
-the command that sets up the dynamic group should appear after those
-fixes.  This will insure that dynamic group assignments are made
-after all atoms have moved. :dd
-
-{One or more respa levels compute no forces} :dt
-
-This is computationally inefficient. :dd
-
-{Pair COMB charge %.10f with force %.10f hit max barrier} :dt
-
-Something is possibly wrong with your model. :dd
-
-{Pair COMB charge %.10f with force %.10f hit min barrier} :dt
-
-Something is possibly wrong with your model. :dd
-
-{Pair brownian needs newton pair on for momentum conservation} :dt
-
-Self-explanatory. :dd
-
-{Pair dpd needs newton pair on for momentum conservation} :dt
-
-Self-explanatory. :dd
-
-{Pair dsmc: num_of_collisions > number_of_A} :dt
-
-Collision model in DSMC is breaking down. :dd
-
-{Pair dsmc: num_of_collisions > number_of_B} :dt
-
-Collision model in DSMC is breaking down. :dd
-
-{Pair style in data file differs from currently defined pair style} :dt
-
-Self-explanatory. :dd
-
-{Pair style restartinfo set but has no restart support} :dt
-
-This pair style has a bug, where it does not support reading and
-writing information to a restart file, but does not set the member
-variable "restartinfo" to 0 as required in that case. :dd
-
-{Particle deposition was unsuccessful} :dt
-
-The fix deposit command was not able to insert as many atoms as
-needed.  The requested volume fraction may be too high, or other atoms
-may be in the insertion region. :dd
-
-{Proc sub-domain size < neighbor skin, could lead to lost atoms} :dt
-
-The decomposition of the physical domain (likely due to load
-balancing) has led to a processor's sub-domain being smaller than the
-neighbor skin in one or more dimensions.  Since reneighboring is
-triggered by atoms moving the skin distance, this may lead to lost
-atoms, if an atom moves all the way across a neighboring processor's
-sub-domain before reneighboring is triggered. :dd
-
-{Reducing PPPM order b/c stencil extends beyond nearest neighbor processor} :dt
-
-This may lead to a larger grid than desired.  See the kspace_modify overlap
-command to prevent changing of the PPPM order. :dd
-
-{Reducing PPPMDisp Coulomb order b/c stencil extends beyond neighbor processor} :dt
-
-This may lead to a larger grid than desired.  See the kspace_modify overlap
-command to prevent changing of the PPPM order. :dd
-
-{Reducing PPPMDisp dispersion order b/c stencil extends beyond neighbor processor} :dt
-
-This may lead to a larger grid than desired.  See the kspace_modify overlap
-command to prevent changing of the PPPM order. :dd
-
-{Replacing a fix, but new group != old group} :dt
-
-The ID and style of a fix match for a fix you are changing with a fix
-command, but the new group you are specifying does not match the old
-group. :dd
-
-{Replicating in a non-periodic dimension} :dt
-
-The parameters for a replicate command will cause a non-periodic
-dimension to be replicated; this may cause unwanted behavior. :dd
-
-{Resetting reneighboring criteria during PRD} :dt
-
-A PRD simulation requires that neigh_modify settings be delay = 0,
-every = 1, check = yes.  Since these settings were not in place,
-LAMMPS changed them and will restore them to their original values
-after the PRD simulation. :dd
-
-{Resetting reneighboring criteria during TAD} :dt
-
-A TAD simulation requires that neigh_modify settings be delay = 0,
-every = 1, check = yes.  Since these settings were not in place,
-LAMMPS changed them and will restore them to their original values
-after the PRD simulation. :dd
-
-{Resetting reneighboring criteria during minimization} :dt
-
-Minimization requires that neigh_modify settings be delay = 0, every =
-1, check = yes.  Since these settings were not in place, LAMMPS
-changed them and will restore them to their original values after the
-minimization. :dd
-
-{Restart file used different # of processors} :dt
-
-The restart file was written out by a LAMMPS simulation running on a
-different number of processors.  Due to round-off, the trajectories of
-your restarted simulation may diverge a little more quickly than if
-you ran on the same # of processors. :dd
-
-{Restart file used different 3d processor grid} :dt
-
-The restart file was written out by a LAMMPS simulation running on a
-different 3d grid of processors.  Due to round-off, the trajectories
-of your restarted simulation may diverge a little more quickly than if
-you ran on the same # of processors. :dd
-
-{Restart file used different boundary settings, using restart file values} :dt
-
-Your input script cannot change these restart file settings. :dd
-
-{Restart file used different newton bond setting, using restart file value} :dt
-
-The restart file value will override the setting in the input script. :dd
-
-{Restart file used different newton pair setting, using input script value} :dt
-
-The input script value will override the setting in the restart file. :dd
-
-{Restrain problem: %d %ld %d %d %d %d} :dt
-
-Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry. :dd
-
-{Running PRD with only one replica} :dt
-
-This is allowed, but you will get no parallel speed-up. :dd
-
-{SRD bin shifting turned on due to small lamda} :dt
-
-This is done to try to preserve accuracy. :dd
-
-{SRD bin size for fix srd differs from user request} :dt
-
-Fix SRD had to adjust the bin size to fit the simulation box.  See the
-cubic keyword if you want this message to be an error vs warning. :dd
-
-{SRD bins for fix srd are not cubic enough} :dt
-
-The bin shape is not within tolerance of cubic.  See the cubic
-keyword if you want this message to be an error vs warning. :dd
-
-{SRD particle %d started inside big particle %d on step %ld bounce %d} :dt
-
-See the inside keyword if you want this message to be an error vs
-warning. :dd
-
-{SRD particle %d started inside wall %d on step %ld bounce %d} :dt
-
-See the inside keyword if you want this message to be an error vs
-warning. :dd
-
-{Shake determinant < 0.0} :dt
-
-The determinant of the quadratic equation being solved for a single
-cluster specified by the fix shake command is numerically suspect.  LAMMPS
-will set it to 0.0 and continue. :dd
-
-{Shell command '%s' failed with error '%s'} :dt
-
-Self-explanatory. :dd
-
-{Shell command returned with non-zero status} :dt
-
-This may indicate the shell command did not operate as expected. :dd
-
-{Should not allow rigid bodies to bounce off reflecting walls} :dt
-
-LAMMPS allows this, but their dynamics are not computed correctly. :dd
-
-{Should not use fix nve/limit with fix shake or fix rattle} :dt
-
-This will lead to invalid constraint forces in the SHAKE/RATTLE
-computation. :dd
-
-{Simulations might be very slow because of large number of structure factors} :dt
-
-Self-explanatory. :dd
-
-{Slab correction not needed for MSM} :dt
-
-Slab correction is intended to be used with Ewald or PPPM and is not needed by MSM. :dd
-
-{System is not charge neutral, net charge = %g} :dt
-
-The total charge on all atoms on the system is not 0.0.
-For some KSpace solvers this is only a warning. :dd
-
-{Table inner cutoff >= outer cutoff} :dt
-
-You specified an inner cutoff for a Coulombic table that is longer
-than the global cutoff.  Probably not what you wanted. :dd
-
-{Temperature for MSST is not for group all} :dt
-
-User-assigned temperature to MSST fix does not compute temperature for
-all atoms.  Since MSST computes a global pressure, the kinetic energy
-contribution from the temperature is assumed to also be for all atoms.
-Thus the pressure used by MSST could be inaccurate. :dd
-
-{Temperature for NPT is not for group all} :dt
-
-User-assigned temperature to NPT fix does not compute temperature for
-all atoms.  Since NPT computes a global pressure, the kinetic energy
-contribution from the temperature is assumed to also be for all atoms.
-Thus the pressure used by NPT could be inaccurate. :dd
-
-{Temperature for fix modify is not for group all} :dt
-
-The temperature compute is being used with a pressure calculation
-which does operate on group all, so this may be inconsistent. :dd
-
-{Temperature for thermo pressure is not for group all} :dt
-
-User-assigned temperature to thermo via the thermo_modify command does
-not compute temperature for all atoms.  Since thermo computes a global
-pressure, the kinetic energy contribution from the temperature is
-assumed to also be for all atoms.  Thus the pressure printed by thermo
-could be inaccurate. :dd
-
-{The fix ave/spatial command has been replaced by the more flexible fix ave/chunk and compute chunk/atom commands -- fix ave/spatial will be removed in the summer of 2015} :dt
-
-Self-explanatory. :dd
-
-{The minimizer does not re-orient dipoles when using fix efield} :dt
-
-This means that only the atom coordinates will be minimized,
-not the orientation of the dipoles. :dd
-
-{Too many common neighbors in CNA %d times} :dt
-
-More than the maximum # of neighbors was found multiple times.  This
-was unexpected. :dd
-
-{Too many inner timesteps in fix ttm} :dt
-
-Self-explanatory. :dd
-
-{Too many neighbors in CNA for %d atoms} :dt
-
-More than the maximum # of neighbors was found multiple times.  This
-was unexpected. :dd
-
-{Triclinic box skew is large} :dt
-
-The displacement in a skewed direction is normally required to be less
-than half the box length in that dimension.  E.g. the xy tilt must be
-between -half and +half of the x box length.  You have relaxed the
-constraint using the box tilt command, but the warning means that a
-LAMMPS simulation may be inefficient as a result. :dd
-
-{Use special bonds = 0,1,1 with bond style fene} :dt
-
-Most FENE models need this setting for the special_bonds command. :dd
-
-{Use special bonds = 0,1,1 with bond style fene/expand} :dt
-
-Most FENE models need this setting for the special_bonds command. :dd
-
-{Using a many-body potential with bonds/angles/dihedrals and special_bond exclusions} :dt
-
-This is likely not what you want to do.  The exclusion settings will
-eliminate neighbors in the neighbor list, which the many-body potential
-needs to calculated its terms correctly. :dd
-
-{Using compute temp/deform with inconsistent fix deform remap option} :dt
-
-Fix nvt/sllod assumes deforming atoms have a velocity profile provided
-by "remap v" or "remap none" as a fix deform option. :dd
-
-{Using compute temp/deform with no fix deform defined} :dt
-
-This is probably an error, since it makes little sense to use
-compute temp/deform in this case. :dd
-
-{Using fix srd with box deformation but no SRD thermostat} :dt
-
-The deformation will heat the SRD particles so this can
-be dangerous. :dd
-
-{Using kspace solver on system with no charge} :dt
-
-Self-explanatory. :dd
-
-{Using largest cut-off for lj/long/dipole/long long long} :dt
-
-Self-explanatory. :dd
-
-{Using largest cutoff for buck/long/coul/long} :dt
-
-Self-explanatory. :dd
-
-{Using largest cutoff for lj/long/coul/long} :dt
-
-Self-explanatory. :dd
-
-{Using largest cutoff for pair_style lj/long/tip4p/long} :dt
-
-Self-explanatory. :dd
-
-{Using package gpu without any pair style defined} :dt
-
-Self-explanatory. :dd
-
-{Using pair potential shift with pair_modify compute no} :dt
-
-The shift effects will thus not be computed. :dd
-
-{Using pair tail corrections with nonperiodic system} :dt
-
-This is probably a bogus thing to do, since tail corrections are
-computed by integrating the density of a periodic system out to
-infinity. :dd
-
-{Using pair tail corrections with pair_modify compute no} :dt
-
-The tail corrections will thus not be computed. :dd
-
-{pair style reax is now deprecated and will soon be retired. Users should switch to pair_style reax/c} :dt
-
-Self-explanatory. :dd
-
-:dle
diff --git a/doc/txt/fix_bond_react.txt b/doc/txt/fix_bond_react.txt
deleted file mode 100644
index d729f09b54..0000000000
--- a/doc/txt/fix_bond_react.txt
+++ /dev/null
@@ -1,474 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-fix bond/react command :h3
-
-[Syntax:]
-
-fix ID group-ID bond/react common_keyword values ...
-  react react-ID react-group-ID Nevery Rmin Rmax template-ID(pre-reacted) template-ID(post-reacted) map_file individual_keyword values ...
-  react react-ID react-group-ID Nevery Rmin Rmax template-ID(pre-reacted) template-ID(post-reacted) map_file individual_keyword values ...
-  react react-ID react-group-ID Nevery Rmin Rmax template-ID(pre-reacted) template-ID(post-reacted) map_file individual_keyword values ...
-  ... :pre
-
-ID, group-ID are documented in "fix"_fix.html command. Group-ID is ignored. :ulb,l
-bond/react = style name of this fix command :l
-the common keyword/values may be appended directly after 'bond/react' :l
-this applies to all reaction specifications (below) :l
-common_keyword = {stabilization} :l
-  {stabilization} values = {no} or {yes} {group-ID} {xmax}
-    {no} = no reaction site stabilization
-    {yes} = perform reaction site stabilization
-      {group-ID} = user-assigned prefix for the dynamic group of atoms not currently involved in a reaction
-      {xmax} = xmax value that is used by an internally-created "nve/limit"_fix_nve_limit.html integrator :pre
-react = mandatory argument indicating new reaction specification :l
-  react-ID = user-assigned name for the reaction :l
-  react-group-ID = only atoms in this group are considered for the reaction :l
-  Nevery = attempt reaction every this many steps :l
-  Rmin = bonding pair atoms must be separated by more than Rmin to initiate reaction (distance units) :l
-  Rmax = bonding pair atoms must be separated by less than Rmax to initiate reaction (distance units) :l
-  template-ID(pre-reacted) = ID of a molecule template containing pre-reaction topology :l
-  template-ID(post-reacted) = ID of a molecule template containing post-reaction topology :l
-  map_file = name of file specifying corresponding atom-IDs in the pre- and post-reacted templates :l
-  zero or more individual keyword/value pairs may be appended to each react argument :l
-  individual_keyword = {prob} or {max_rxn} or {stabilize_steps} or {update_edges} :l
-    {prob} values = fraction seed
-      fraction = initiate reaction with this probability if otherwise eligible
-      seed = random number seed (positive integer)
-    {max_rxn} value = N
-      N = maximum number of reactions allowed to occur
-    {stabilize_steps} value = timesteps
-      timesteps = number of timesteps to apply the internally-created "nve/limit"_fix_nve_limit.html fix to reacting atoms
-    {update_edges} value = {none} or {charges} or {custom}
-      none = do not update topology near the edges of reaction templates
-      charges = update atomic charges of all atoms in reaction templates
-      custom = force the update of user-specified atomic charges :pre
-:ule
-
-[Examples:]
-
-For unabridged example scripts and files, see examples/USER/misc/bond_react.
-
-molecule mol1 pre_reacted_topology.txt
-molecule mol2 post_reacted_topology.txt
-fix 5 all bond/react react myrxn1 all 1 0 3.25 mol1 mol2 map_file.txt :pre
-
-molecule mol1 pre_reacted_rxn1.txt
-molecule mol2 post_reacted_rxn1.txt
-molecule mol3 pre_reacted_rxn2.txt
-molecule mol4 post_reacted_rxn2.txt
-fix 5 all bond/react stabilization yes nvt_grp .03 &
-  react myrxn1 all 1 0 3.25 mol1 mol2 map_file_rxn1.txt prob 0.50 12345 &
-  react myrxn2 all 1 0 2.75 mol3 mol4 map_file_rxn2.txt prob 0.25 12345
-fix 6 nvt_grp_REACT nvt temp 300 300 100 # set thermostat after bond/react :pre
-
-[Description:]
-
-Initiate complex covalent bonding (topology) changes. These topology
-changes will be referred to as 'reactions' throughout this
-documentation. Topology changes are defined in pre- and post-reaction
-molecule templates and can include creation and deletion of bonds,
-angles, dihedrals, impropers, bond types, angle types, dihedral types,
-atom types, or atomic charges. In addition, reaction by-products or
-other molecules can be identified and deleted.
-
-Fix bond/react does not use quantum mechanical (eg. fix qmmm) or
-pairwise bond-order potential (eg. Tersoff or AIREBO) methods to
-determine bonding changes a priori. Rather, it uses a distance-based
-probabilistic criteria to effect predetermined topology changes in
-simulations using standard force fields.
-
-This fix was created to facilitate the dynamic creation of polymeric,
-amorphous or highly cross-linked systems. A suggested workflow for
-using this fix is: 1) identify a reaction to be simulated 2) build a
-molecule template of the reaction site before the reaction has
-occurred 3) build a molecule template of the reaction site after the
-reaction has occurred 4) create a map that relates the
-template-atom-IDs of each atom between pre- and post-reaction molecule
-templates 5) fill a simulation box with molecules and run a simulation
-with fix bond/react.
-
-Only one 'fix bond/react' command can be used at a time. Multiple
-reactions can be simultaneously applied by specifying multiple {react}
-arguments to a single 'fix bond/react' command. This syntax is
-necessary because the 'common keywords' are applied to all reactions.
-
-The {stabilization} keyword enables reaction site stabilization.
-Reaction site stabilization is performed by including reacting atoms
-in an internally-created fix "nve/limit"_fix_nve_limit.html time
-integrator for a set number of timesteps given by the
-{stabilize_steps} keyword. While reacting atoms are being time
-integrated by the internal nve/limit, they are prevented from being
-involved in any new reactions. The {xmax} value keyword should
-typically be set to the maximum distance that non-reacting atoms move
-during the simulation.
-
-Fix bond/react creates and maintains two important dynamic groups of
-atoms when using the {stabilization} keyword. The first group contains
-all atoms currently involved in a reaction; this group is
-automatically thermostatted by an internally-created
-"nve/limit"_fix_nve_limit.html integrator. The second group contains
-all atoms currently not involved in a reaction. This group should be
-used by a thermostat in order to time integrate the system. The name
-of this group of non-reacting atoms is created by appending '_REACT'
-to the group-ID argument of the {stabilization} keyword, as shown in
-the second example above.
-
-NOTE: When using reaction stabilization, you should generally not have
-a separate thermostat which acts on the 'all' group.
-
-The group-ID set using the {stabilization} keyword can be an existing
-static group or a previously-unused group-ID. It cannot be specified
-as 'all'. If the group-ID is previously unused, the fix bond/react
-command creates a "dynamic group"_group.html that is initialized to
-include all atoms. If the group-ID is that of an existing static
-group, the group is used as the parent group of new,
-internally-created dynamic group. In both cases, this new dynamic
-group is named by appending '_REACT' to the group-ID, e.g.
-nvt_grp_REACT. By specifying an existing group, you may thermostat
-constant-topology parts of your system separately. The dynamic group
-contains only atoms not involved in a reaction at a given timestep,
-and therefore should be used by a subsequent system-wide time
-integrator such as nvt, npt, or nve, as shown in the second example
-above (full examples can be found at examples/USER/misc/bond_react).
-The time integration command should be placed after the fix bond/react
-command due to the internal dynamic grouping performed by fix
-bond/react.
-
-NOTE: If the group-ID is an existing static group, react-group-IDs
-should also be specified as this static group, or a subset.
-
-The following comments pertain to each {react} argument (in other
-words, can be customized for each reaction, or reaction step):
-
-A check for possible new reaction sites is performed every {Nevery}
-timesteps.
-
-Three physical conditions must be met for a reaction to occur. First,
-a bonding atom pair must be identified within the reaction distance
-cutoffs. Second, the topology surrounding the bonding atom pair must
-match the topology of the pre-reaction template. Finally, any reaction
-constraints listed in the map file (see below) must be satisfied. If
-all of these conditions are met, the reaction site is eligible to be
-modified to match the post-reaction template.
-
-A bonding atom pair will be identified if several conditions are met.
-First, a pair of atoms I,J within the specified react-group-ID of type
-itype and jtype must be separated by a distance between {Rmin} and
-{Rmax}. It is possible that multiple bonding atom pairs are
-identified: if the bonding atoms in the pre-reacted template are  1-2
-neighbors, i.e. directly bonded, the farthest bonding atom partner is
-set as its bonding partner; otherwise, the closest potential partner
-is chosen. Then, if both an atom I and atom J have each other as their
-bonding partners, these two atoms are identified as the bonding atom
-pair of the reaction site. Once this unique bonding atom pair is
-identified for each reaction, there could two or more reactions that
-involve a given atom on the same timestep. If this is the case, only
-one such reaction is permitted to occur. This reaction is chosen
-randomly from all potential reactions. This capability allows e.g. for
-different reaction pathways to proceed from identical reaction sites
-with user-specified probabilities.
-
-The pre-reacted molecule template is specified by a molecule command.
-This molecule template file contains a sample reaction site and its
-surrounding topology. As described below, the bonding atom pairs of
-the pre-reacted template are specified by atom ID in the map file. The
-pre-reacted molecule template should contain as few atoms as possible
-while still completely describing the topology of all atoms affected
-by the reaction. For example, if the force field contains dihedrals,
-the pre-reacted template should contain any atom within three bonds of
-reacting atoms.
-
-Some atoms in the pre-reacted template that are not reacting may have
-missing topology with respect to the simulation. For example, the
-pre-reacted template may contain an atom that, in the simulation, is
-currently connected to the rest of a long polymer chain. These are
-referred to as edge atoms, and are also specified in the map file. All
-pre-reaction template atoms should be linked to a bonding atom, via at
-least one path that does not involve edge atoms. When the pre-reaction
-template contains edge atoms, not all atoms, bonds, charges, etc.
-specified in the reaction templates will be updated. Specifically,
-topology that involves only atoms that are 'too near' to template
-edges will not be updated. The definition of 'too near the edge'
-depends on which interactions are defined in the simulation. If the
-simulation has defined dihedrals, atoms within two bonds of edge atoms
-are considered 'too near the edge.' If the simulation defines angles,
-but not dihedrals, atoms within one bond of edge atoms are considered
-'too near the edge.' If just bonds are defined, only edge atoms are
-considered 'too near the edge.'
-
-NOTE: Small molecules, i.e. ones that have all their atoms contained
-within the reaction templates, never have edge atoms.
-
-Note that some care must be taken when a building a molecule template
-for a given simulation. All atom types in the pre-reacted template
-must be the same as those of a potential reaction site in the
-simulation. A detailed discussion of matching molecule template atom
-types with the simulation is provided on the "molecule"_molecule.html
-command page.
-
-The post-reacted molecule template contains a sample of the reaction
-site and its surrounding topology after the reaction has occurred. It
-must contain the same number of atoms as the pre-reacted template. A
-one-to-one correspondence between the atom IDs in the pre- and
-post-reacted templates is specified in the map file as described
-below. Note that during a reaction, an atom, bond, etc. type may
-change to one that was previously not present in the simulation. These
-new types must also be defined during the setup of a given simulation.
-A discussion of correctly handling this is also provided on the
-"molecule"_molecule.html command page.
-
-NOTE: When a reaction occurs, it is possible that the resulting
-topology/atom (e.g. special bonds, dihedrals, etc.) exceeds that of
-the existing system and reaction templates. As when inserting
-molecules, enough space for this increased topology/atom must be
-reserved by using the relevant "extra" keywords to the
-"read_data"_read_data.html or "create_box"_create_box.html commands.
-
-The map file is a text document with the following format:
-
-A map file has a header and a body. The header of map file the
-contains one mandatory keyword and four optional keywords. The
-mandatory keyword is 'equivalences':
-
-N {equivalences} = # of atoms N in the reaction molecule templates :pre
-
-The optional keywords are 'edgeIDs', 'deleteIDs', 'customIDs' and
-'constraints':
-
-N {edgeIDs} = # of edge atoms N in the pre-reacted molecule template
-N {deleteIDs} = # of atoms N that are specified for deletion
-N {customIDs} = # of atoms N that are specified for a custom update
-N {constraints} = # of specified reaction constraints N :pre
-
-The body of the map file contains two mandatory sections and four
-optional sections. The first mandatory section begins with the keyword
-'BondingIDs' and lists the atom IDs of the bonding atom pair in the
-pre-reacted molecule template. The second mandatory section begins
-with the keyword 'Equivalences' and lists a one-to-one correspondence
-between atom IDs of the pre- and post-reacted templates. The first
-column is an atom ID of the pre-reacted molecule template, and the
-second column is the corresponding atom ID of the post-reacted
-molecule template. The first optional section begins with the keyword
-'EdgeIDs' and lists the atom IDs of edge atoms in the pre-reacted
-molecule template. The second optional section begins with the keyword
-'DeleteIDs' and lists the atom IDs of pre-reaction template atoms to
-delete. The third optional section begins with the keyword 'Custom
-Edges' and allows for forcing the update of a specific atom's atomic
-charge. The first column is the ID of an atom near the edge of the
-pre-reacted molecule template, and the value of the second column is
-either 'none' or 'charges.' Further details are provided in the
-discussion of the 'update_edges' keyword. The fourth optional section
-begins with the keyword 'Constraints' and lists additional criteria
-that must be satisfied in order for the reaction to occur. Currently,
-there are three types of constraints available, as discussed below.
-
-A sample map file is given below:
-
-:line
-
-# this is a map file :pre
-
-7 equivalences
-2 edgeIDs :pre
-
-BondingIDs :pre
-
-3
-5 :pre
-
-EdgeIDs :pre
-
-1
-7 :pre
-
-Equivalences :pre
-
-1   1
-2   2
-3   3
-4   4
-5   5
-6   6
-7   7 :pre
-
-:line
-
-Any number of additional constraints may be specified in the
-Constraints section of the map file. The constraint of type 'distance'
-has syntax as follows:
-
-distance {ID1} {ID2} {rmin} {rmax} :pre
-
-where 'distance' is the required keyword, {ID1} and {ID2} are
-pre-reaction atom IDs, and these two atoms must be separated by a
-distance between {rmin} and {rmax} for the reaction to occur.
-
-The constraint of type 'angle' has the following syntax:
-
-angle {ID1} {ID2} {ID3} {amin} {amax} :pre
-
-where 'angle' is the required keyword, {ID1}, {ID2} and {ID3} are
-pre-reaction atom IDs, and these three atoms must form an angle
-between {amin} and {amax} for the reaction to occur (where {ID2} is
-the central atom). Angles must be specified in degrees. This
-constraint can be used to enforce a certain orientation between
-reacting molecules.
-
-The constraint of type 'arrhenius' imposes an additional reaction
-probability according to the temperature-dependent Arrhenius equation:
-
-:c,image(Eqs/fix_bond_react.jpg)
-
-The Arrhenius constraint has the following syntax:
-
-arrhenius {A} {n} {E_a} {seed} :pre
-
-where 'arrhenius' is the required keyword, {A} is the pre-exponential
-factor, {n} is the exponent of the temperature dependence, {E_a} is
-the activation energy ("units"_units.html of energy), and {seed} is a
-random number seed. The temperature is defined as the instantaneous
-temperature averaged over all atoms in the reaction site, and is
-calculated in the same manner as for example
-"compute_temp_chunk"_compute_temp_chunk.html. Currently, there are no
-options for additional temperature averaging or velocity-biased
-temperature calculations. A uniform random number between 0 and 1 is
-generated using {seed}; if this number is less than the result of the
-Arrhenius equation above, the reaction is permitted to occur.
-
-Once a reaction site has been successfully identified, data structures
-within LAMMPS that store bond topology are updated to reflect the
-post-reacted molecule template. All force fields with fixed bonds,
-angles, dihedrals or impropers are supported.
-
-A few capabilities to note: 1) You may specify as many {react}
-arguments as desired. For example, you could break down a complicated
-reaction mechanism into several reaction steps, each defined by its
-own {react} argument. 2) While typically a bond is formed or removed
-between the bonding atom pairs specified in the pre-reacted molecule
-template, this is not required. 3) By reversing the order of the pre-
-and post- reacted molecule templates in another {react} argument, you
-can allow for the possibility of one or more reverse reactions.
-
-The optional keywords deal with the probability of a given reaction
-occurring as well as the stable equilibration of each reaction site as
-it occurs:
-
-The {prob} keyword can affect whether or not an eligible reaction
-actually occurs. The fraction setting must be a value between 0.0 and
-1.0. A uniform random number between 0.0 and 1.0 is generated and the
-eligible reaction only occurs if the random number is less than the
-fraction. Up to N reactions are permitted to occur, as optionally
-specified by the {max_rxn} keyword.
-
-The {stabilize_steps} keyword allows for the specification of how many
-timesteps a reaction site is stabilized before being returned to the
-overall system thermostat. In order to produce the most physical
-behavior, this 'reaction site equilibration time' should be tuned to
-be as small as possible while retaining stability for a given system
-or reaction step. After a limited number of case studies, this number
-has been set to a default of 60 timesteps. Ideally, it should be
-individually tuned for each fix reaction step. Note that in some
-situations, decreasing rather than increasing this parameter will
-result in an increase in stability.
-
-The {update_edges} keyword can increase the number of atoms whose
-atomic charges are updated, when the pre-reaction template contains
-edge atoms. When the value is set to 'charges,' all atoms' atomic
-charges are updated to those specified by the post-reaction template,
-including atoms near the edge of reaction templates. When the value is
-set to 'custom,' an additional section must be included in the map
-file that specifies whether or not to update charges, on a per-atom
-basis. The format of this section is detailed above. Listing a
-pre-reaction atom ID with a value of 'charges' will force the update
-of the atom's charge, even if it is near a template edge. Atoms not
-near a template edge are unaffected by this setting.
-
-A few other considerations:
-
-Many reactions result in one or more atoms that are considered
-unwanted by-products. Therefore, bond/react provides the option to
-delete a user-specified set of atoms. These pre-reaction atoms are
-identified in the map file. A deleted atom must still be included in
-the post-reaction molecule template, in which it cannot be bonded to
-an atom that is not deleted. In addition to deleting unwanted reaction
-by-products, this feature can be used to remove specific topologies,
-such as small rings, that may be otherwise indistinguishable.
-
-Optionally, you can enforce additional behaviors on reacting atoms.
-For example, it may be beneficial to force reacting atoms to remain at
-a certain temperature. For this, you can use the internally-created
-dynamic group named "bond_react_MASTER_group", which consists of all
-atoms currently involved in a reaction. For example, adding the
-following command would add an additional thermostat to the group of
-all currently-reacting atoms:
-
-fix 1 bond_react_MASTER_group temp/rescale 1 300 300 10 1 :pre
-
-NOTE: This command must be added after the fix bond/react command, and
-will apply to all reactions.
-
-Computationally, each timestep this fix operates, it loops over
-neighbor lists (for bond-forming reactions) and computes distances
-between pairs of atoms in the list. It also communicates between
-neighboring processors to coordinate which bonds are created and/or
-removed. All of these operations increase the cost of a timestep. Thus
-you should be cautious about invoking this fix too frequently.
-
-You can dump out snapshots of the current bond topology via the dump
-local command.
-
-:line
-
-[Restart, fix_modify, output, run start/stop, minimize info:]
-
-Cumulative reaction counts for each reaction are written to "binary
-restart files"_restart.html. These values are associated with the
-reaction name (react-ID). Additionally, internally-created per-atom
-properties are stored to allow for smooth restarts. None of the
-"fix_modify"_fix_modify.html options are relevant to this fix.
-
-This fix computes one statistic for each {react} argument that it
-stores in a global vector, of length 'number of react arguments', that
-can be accessed by various "output commands"_Howto_output.html. The
-vector values calculated by this fix are "intensive".
-
-These is 1 quantity for each react argument:
-
-(1) cumulative # of reactions occurred :ul
-
-No parameter of this fix can be used with the {start/stop} keywords
-of the "run"_run.html command.  This fix is not invoked during "energy
-minimization"_minimize.html.
-
-When fix bond/react is 'unfixed,' all internally-created groups are
-deleted. Therefore, fix bond/react can only be unfixed after unfixing
-all other fixes that use any group created by fix bond/react.
-
-[Restrictions:]
-
-This fix is part of the USER-MISC package.  It is only enabled if
-LAMMPS was built with that package.  See the
-"Build package"_Build_package.html doc page for more info.
-
-[Related commands:]
-
-"fix bond/create"_fix_bond_create.html,
-"fix bond/break"_fix_bond_break.html,
-"fix bond/swap"_fix_bond_swap.html,
-"dump local"_dump.html, "special_bonds"_special_bonds.html
-
-[Default:]
-
-The option defaults are stabilization = no, prob = 1.0, stabilize_steps = 60,
-update_edges = none
-
-:line
-
-:link(Gissinger)
-[(Gissinger)] Gissinger, Jensen and Wise, Polymer, 128, 211 (2017).
diff --git a/doc/txt/fix_wall_reflect.txt b/doc/txt/fix_wall_reflect.txt
deleted file mode 100644
index 9f787c721f..0000000000
--- a/doc/txt/fix_wall_reflect.txt
+++ /dev/null
@@ -1,183 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-fix wall/reflect command :h3
-fix wall/reflect/kk command :h3
-
-[Syntax:]
-
-fix ID group-ID wall/reflect face arg ... keyword value ... :pre
-
-ID, group-ID are documented in "fix"_fix.html command :ulb,l
-wall/reflect = style name of this fix command :l
-one or more face/arg pairs may be appended :l
-face = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} :l
-  {xlo},{ylo},{zlo} arg = EDGE or constant or variable
-    EDGE = current lo edge of simulation box
-    constant = number like 0.0 or -30.0 (distance units)
-    variable = "equal-style variable"_variable.html like v_x or v_wiggle
-  {xhi},{yhi},{zhi} arg = EDGE or constant or variable
-    EDGE = current hi edge of simulation box
-    constant = number like 50.0 or 100.3 (distance units)
-    variable = "equal-style variable"_variable.html like v_x or v_wiggle :pre
-zero or more keyword/value pairs may be appended :l
-keyword = {units} :l
-  {units} value = {lattice} or {box}
-    {lattice} = the wall position is defined in lattice units
-    {box} = the wall position is defined in simulation box units :pre
-:ule
-
-[Examples:]
-
-fix xwalls all wall/reflect xlo EDGE xhi EDGE
-fix walls all wall/reflect xlo 0.0 ylo 10.0 units box
-fix top all wall/reflect zhi v_pressdown :pre
-
-[Description:]
-
-Bound the simulation with one or more walls which reflect particles
-in the specified group when they attempt to move through them.
-
-Reflection means that if an atom moves outside the wall on a timestep
-by a distance delta (e.g. due to "fix nve"_fix_nve.html), then it is
-put back inside the face by the same delta, and the sign of the
-corresponding component of its velocity is flipped.
-
-When used in conjunction with "fix nve"_fix_nve.html and "run_style
-verlet"_run_style.html, the resultant time-integration algorithm is
-equivalent to the primitive splitting algorithm (PSA) described by
-"Bond"_#Bond1.  Because each reflection event divides
-the corresponding timestep asymmetrically, energy conservation is only
-satisfied to O(dt), rather than to O(dt^2) as it would be for
-velocity-Verlet integration without reflective walls.
-
-Up to 6 walls or faces can be specified in a single command: {xlo},
-{xhi}, {ylo}, {yhi}, {zlo}, {zhi}.  A {lo} face reflects particles
-that move to a coordinate less than the wall position, back in the
-{hi} direction.  A {hi} face reflects particles that move to a
-coordinate higher than the wall position, back in the {lo} direction.
-
-The position of each wall can be specified in one of 3 ways: as the
-EDGE of the simulation box, as a constant value, or as a variable.  If
-EDGE is used, then the corresponding boundary of the current
-simulation box is used.  If a numeric constant is specified then the
-wall is placed at that position in the appropriate dimension (x, y, or
-z).  In both the EDGE and constant cases, the wall will never move.
-If the wall position is a variable, it should be specified as v_name,
-where name is an "equal-style variable"_variable.html name.  In this
-case the variable is evaluated each timestep and the result becomes
-the current position of the reflecting wall.  Equal-style variables
-can specify formulas with various mathematical functions, and include
-"thermo_style"_thermo_style.html command keywords for the simulation
-box parameters and timestep and elapsed time.  Thus it is easy to
-specify a time-dependent wall position.
-
-The {units} keyword determines the meaning of the distance units used
-to define a wall position, but only when a numeric constant or
-variable is used.  It is not relevant when EDGE is used to specify a
-face position.  In the variable case, the variable is assumed to
-produce a value compatible with the {units} setting you specify.
-
-A {box} value selects standard distance units as defined by the
-"units"_units.html command, e.g. Angstroms for units = real or metal.
-A {lattice} value means the distance units are in lattice spacings.
-The "lattice"_lattice.html command must have been previously used to
-define the lattice spacings.
-
-:line
-
-Here are examples of variable definitions that move the wall position
-in a time-dependent fashion using equal-style
-"variables"_variable.html.
-
-variable ramp equal ramp(0,10)
-fix 1 all wall/reflect xlo v_ramp :pre
-
-variable linear equal vdisplace(0,20)
-fix 1 all wall/reflect xlo v_linear :pre
-
-variable wiggle equal swiggle(0.0,5.0,3.0)
-fix 1 all wall/reflect xlo v_wiggle  :pre
-
-variable wiggle equal cwiggle(0.0,5.0,3.0)
-fix 1 all wall/reflect xlo v_wiggle :pre
-
-The ramp(lo,hi) function adjusts the wall position linearly from lo to
-hi over the course of a run.  The vdisplace(c0,velocity) function does
-something similar using the equation position = c0 + velocity*delta,
-where delta is the elapsed time.
-
-The swiggle(c0,A,period) function causes the wall position to
-oscillate sinusoidally according to this equation, where omega = 2 PI
-/ period:
-
-position = c0 + A sin(omega*delta) :pre
-
-The cwiggle(c0,A,period) function causes the wall position to
-oscillate sinusoidally according to this equation, which will have an
-initial wall velocity of 0.0, and thus may impose a gentler
-perturbation on the particles:
-
-position = c0 + A (1 - cos(omega*delta)) :pre
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Restart, fix_modify, output, run start/stop, minimize info:]
-
-No information about this fix is written to "binary restart
-files"_restart.html.  None of the "fix_modify"_fix_modify.html options
-are relevant to this fix.  No global or per-atom quantities are stored
-by this fix for access by various "output commands"_Howto_output.html.
-No parameter of this fix can be used with the {start/stop} keywords of
-the "run"_run.html command.  This fix is not invoked during "energy
-minimization"_minimize.html.
-
-[Restrictions:]
-
-Any dimension (xyz) that has a reflecting wall must be non-periodic.
-
-A reflecting wall should not be used with rigid bodies such as those
-defined by a "fix rigid" command.  This is because the wall/reflect
-displaces atoms directly rather than exerts a force on them.  For
-rigid bodies, use a soft wall instead, such as "fix
-wall/lj93"_fix_wall.html.  LAMMPS will flag the use of a rigid
-fix with fix wall/reflect with a warning, but will not generate an
-error.
-
-[Related commands:]
-
-"fix wall/lj93"_fix_wall.html, "fix oneway"_fix_oneway.html
-
-[Default:] none
-
-:line
-
-:link(Bond1)
-[(Bond)] Bond and Leimkuhler, SIAM J Sci Comput, 30, p 134 (2007).
diff --git a/doc/txt/pair_granular.txt b/doc/txt/pair_granular.txt
deleted file mode 100644
index 2091163e91..0000000000
--- a/doc/txt/pair_granular.txt
+++ /dev/null
@@ -1,793 +0,0 @@
-<script type="text/javascript"
-  src="https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML">
-</script>
-<script type="text/x-mathjax-config">
-  MathJax.Hub.Config({ TeX: { equationNumbers: {autoNumber: "AMS"} } });
-</script>
-
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-pair_style granular command :h3
-
-[Syntax:]
-
-pair_style granular cutoff :pre
-
-cutoff = global cutoff (optional).  See discussion below. :ul
-
-[Examples:]
-
-pair_style granular
-pair_coeff * * hooke 1000.0 50.0 tangential linear_nohistory 1.0 0.4 damping mass_velocity :pre
-
-pair_style granular
-pair_coeff * * hooke 1000.0 50.0 tangential linear_history 500.0 1.0 0.4 damping mass_velocity :pre
-
-pair_style granular
-pair_coeff * * hertz 1000.0 50.0 tangential mindlin 1000.0 1.0 0.4 :pre
-
-pair_style granular
-pair_coeff * * hertz/material 1e8 0.3 0.3 tangential mindlin_rescale NULL 1.0 0.4 damping tsuji :pre
-
-pair_style granular
-pair_coeff 1 * jkr 1000.0 500.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall
-pair_coeff 2 2 hertz 200.0 100.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall :pre
-
-pair_style granular
-pair_coeff 1 1 dmt 1000.0 50.0 0.3 0.0 tangential mindlin NULL 0.5 0.5 rolling sds 500.0 200.0 0.5 twisting marshall
-pair_coeff 2 2 dmt 1000.0 50.0 0.3 10.0 tangential mindlin NULL 0.5 0.1 rolling sds 500.0 200.0 0.1 twisting marshall :pre
-
-[Description:]
-
-The {granular} styles support a variety of options for the normal,
-tangential, rolling and twisting forces resulting from contact between
-two granular particles. This expands on the options offered by the
-"pair gran/*"_pair_gran.html pair styles. The total computed forces
-and torques are the sum of various models selected for the normal,
-tangential, rolling and twisting modes of motion.
-
-All model choices and parameters are entered in the
-"pair_coeff"_pair_coeff.html command, as described below.  Unlike
-e.g. "pair gran/hooke"_pair_gran.html, coefficient values are not
-global, but can be set to different values for different combinations
-of particle types, as determined by the "pair_coeff"_pair_coeff.html
-command.  If the contact model choice is the same for two particle
-types, the mixing for the cross-coefficients can be carried out
-automatically. This is shown in the last example, where model
-choices are the same for type 1 - type 1 as for type 2 - type2
-interactions, but coefficients are different. In this case, the
-mixed coefficients for type 1 - type 2 interactions can be determined from
-mixing rules discussed below.  For additional flexibility,
-coefficients as well as model forms can vary between particle types,
-as shown in the fourth example: type 1 - type 1 interactions are based
-on a Johnson-Kendall-Roberts normal contact model and 2-2 interactions
-are based on a DMT cohesive model (see below).  In that example, 1-1
-and 2-2 interactions have different model forms, in which case mixing of
-coefficients cannot be determined, so 1-2 interactions must be
-explicitly defined via the {pair_coeff 1 *} command, otherwise an
-error would result.
-
-:line
-
-The first required keyword for the {pair_coeff} command is the normal
-contact model. Currently supported options for normal contact models
-and their required arguments are:
-
-{hooke} : \(k_n\), \(\eta_\{n0\}\) (or \(e\))
-{hertz} : \(k_n\), \(\eta_\{n0\}\) (or \(e\))
-{hertz/material} : E, \(\eta_\{n0\}\) (or \(e\)), \(\nu\)
-{dmt} : E, \(\eta_\{n0\}\) (or \(e\)), \(\nu\), \(\gamma\)
-{jkr} : E, \(\eta_\{n0\}\) (or \(e\)), \(\nu\), \(\gamma\) :ol
-
-Here, \(k_n\) is spring stiffness (with units that depend on model
-choice, see below); \(\eta_\{n0\}\) is a damping prefactor (or, in its
-place a coefficient of restitution \(e\), depending on the choice of
-damping mode, see below); E is Young's modulus in units of
-{force}/{length}^2, i.e. {pressure}; \(\nu\) is Poisson's ratio and
-\(\gamma\) is a surface energy density, in units of
-{energy}/{length}^2.
-
-For the {hooke} model, the normal, elastic component of force acting
-on particle {i} due to contact with particle {j} is given by:
-
-\begin\{equation\}
-\mathbf\{F\}_\{ne, Hooke\} = k_N \delta_\{ij\} \mathbf\{n\}
-\end\{equation\}
-
-Where \(\delta_\{ij\} = R_i + R_j - \|\mathbf\{r\}_\{ij\}\|\) is the particle
-overlap, \(R_i, R_j\) are the particle radii, \(\mathbf\{r\}_\{ij\} =
-\mathbf\{r\}_i - \mathbf\{r\}_j\) is the vector separating the two
-particle centers (note the i-j ordering so that \(F_\{ne\}\) is
-positive for repulsion), and \(\mathbf\{n\} =
-\frac\{\mathbf\{r\}_\{ij\}\}\{\|\mathbf\{r\}_\{ij\}\|\}\).  Therefore,
-for {hooke}, the units of the spring constant \(k_n\) are
-{force}/{distance}, or equivalently {mass}/{time^2}.
-
-For the {hertz} model, the normal component of force is given by:
-
-\begin\{equation\}
-\mathbf\{F\}_\{ne, Hertz\} = k_N R_\{eff\}^\{1/2\}\delta_\{ij\}^\{3/2\} \mathbf\{n\}
-\end\{equation\}
-
-Here, \(R_\{eff\} = \frac\{R_i R_j\}\{R_i + R_j\}\) is the effective
-radius, denoted for simplicity as {R} from here on.  For {hertz}, the
-units of the spring constant \(k_n\) are {force}/{length}^2, or
-equivalently {pressure}.
-
-For the {hertz/material} model, the force is given by:
-
-\begin\{equation\}
-\mathbf\{F\}_\{ne, Hertz/material\} = \frac\{4\}\{3\} E_\{eff\} R_\{eff\}^\{1/2\}\delta_\{ij\}^\{3/2\} \mathbf\{n\}
-\end\{equation\}
-
-Here, \(E_\{eff\} = E = \left(\frac\{1-\nu_i^2\}\{E_i\} +
-\frac\{1-\nu_j^2\}\{E_j\}\right)^\{-1\}\) is the effective Young's
-modulus, with \(\nu_i, \nu_j \) the Poisson ratios of the particles of
-types {i} and {j}. Note that if the elastic modulus and the shear
-modulus of the two particles are the same, the {hertz/material} model
-is equivalent to the {hertz} model with \(k_N = 4/3 E_\{eff\}\)
-
-The {dmt} model corresponds to the
-"(Derjaguin-Muller-Toporov)"_#DMT1975 cohesive model, where the force
-is simply Hertz with an additional attractive cohesion term:
-
-\begin\{equation\}
-\mathbf\{F\}_\{ne, dmt\} = \left(\frac\{4\}\{3\} E R^\{1/2\}\delta_\{ij\}^\{3/2\} - 4\pi\gamma R\right)\mathbf\{n\}
-\end\{equation\}
-
-The {jkr} model is the "(Johnson-Kendall-Roberts)"_#JKR1971 model,
-where the force is computed as:
-
-\begin\{equation\}
-\label\{eq:force_jkr\}
-\mathbf\{F\}_\{ne, jkr\} = \left(\frac\{4Ea^3\}\{3R\} - 2\pi a^2\sqrt\{\frac\{4\gamma E\}\{\pi a\}\}\right)\mathbf\{n\}
-\end\{equation\}
-
-Here, {a} is the radius of the contact zone, related to the overlap
-\(\delta\) according to:
-
-\begin\{equation\}
-\delta = a^2/R - 2\sqrt\{\pi \gamma a/E\}
-\end\{equation\}
-
-LAMMPS internally inverts the equation above to solve for {a} in terms
-of \(\delta\), then solves for the force in the previous
-equation. Additionally, note that the JKR model allows for a tensile
-force beyond contact (i.e. for \(\delta < 0\)), up to a maximum of
-\(3\pi\gamma R\) (also known as the 'pull-off' force).  Note that this
-is a hysteretic effect, where particles that are not contacting
-initially will not experience force until they come into contact
-\(\delta \geq 0\); as they move apart and (\(\delta < 0\)), they
-experience a tensile force up to \(3\pi\gamma R\), at which point they
-lose contact.
-
-:line
-
-In addition, the normal force is augmented by a damping term of the
-following general form:
-
-\begin\{equation\}
-\mathbf\{F\}_\{n,damp\} = -\eta_n \mathbf\{v\}_\{n,rel\}
-\end\{equation\}
-
-Here, \(\mathbf\{v\}_\{n,rel\} = (\mathbf\{v\}_j - \mathbf\{v\}_i)
-\cdot \mathbf\{n\} \mathbf\{n\}\) is the component of relative velocity along
-\(\mathbf\{n\}\).
-
-The optional {damping} keyword to the {pair_coeff} command followed by
-a keyword determines the model form of the damping factor \(\eta_n\),
-and the interpretation of the \(\eta_\{n0\}\) or \(e\) coefficients
-specified as part of the normal contact model settings. The {damping}
-keyword and corresponding model form selection may be appended
-anywhere in the {pair coeff} command.  Note that the choice of damping
-model affects both the normal and tangential damping (and depending on
-other settings, potentially also the twisting damping).  The options
-for the damping model currently supported are:
-
-{velocity}
-{mass_velocity}
-{viscoelastic}
-{tsuji} :ol
-
-If the {damping} keyword is not specified, the {viscoelastic} model is
-used by default.
-
-For {damping velocity}, the normal damping is simply equal to the
-user-specified damping coefficient in the {normal} model:
-
-\begin\{equation\}
-\eta_n = \eta_\{n0\}
-\end\{equation\}
-
-Here, \(\eta_\{n0\}\) is the damping coefficient specified for the normal
-contact model, in units of {mass}/{time}.
-
-For {damping mass_velocity}, the normal damping is given by:
-
-\begin\{equation\}
-\eta_n = \eta_\{n0\} m_\{eff\}
-\end\{equation\}
-
-Here, \(\eta_\{n0\}\) is the damping coefficient specified for the normal
-contact model, in units of {mass}/{time} and
-\(m_\{eff\} = m_i m_j/(m_i + m_j)\) is the effective mass.
-Use {damping mass_velocity} to reproduce the damping behavior of
-{pair gran/hooke/*}.
-
-The {damping viscoelastic} model is based on the viscoelastic
-treatment of "(Brilliantov et al)"_#Brill1996, where the normal
-damping is given by:
-
-\begin\{equation\}
-\eta_n = \eta_\{n0\}\ a m_\{eff\}
-\end\{equation\}
-
-Here, {a} is the contact radius, given by \(a =\sqrt\{R\delta\}\)
-for all models except {jkr}, for which it is given implicitly according
-to \(\delta = a^2/R - 2\sqrt\{\pi \gamma a/E\}\).  For {damping viscoelastic},
-\(\eta_\{n0\}\) is in units of 1/({time}*{distance}).
-
-The {tsuji} model is based on the work of "(Tsuji et
-al)"_#Tsuji1992. Here, the damping coefficient specified as part of
-the normal model is interpreted as a restitution coefficient
-\(e\). The damping constant \(\eta_n\) is given by:
-
-\begin\{equation\}
-\eta_n = \alpha (m_\{eff\}k_n)^\{1/2\}
-\end\{equation\}
-
-For normal contact models based on material parameters, \(k_n =
-4/3Ea\).  The parameter \(\alpha\) is related to the restitution
-coefficient {e} according to:
-
-\begin\{equation\}
-\alpha = 1.2728-4.2783e+11.087e^2-22.348e^3+27.467e^4-18.022e^5+4.8218e^6
-\end\{equation\}
-
-The dimensionless coefficient of restitution \(e\) specified as part
-of the normal contact model parameters should be between 0 and 1, but
-no error check is performed on this.
-
-The total normal force is computed as the sum of the elastic and
-damping components:
-
-\begin\{equation\}
-\mathbf\{F\}_n = \mathbf\{F\}_\{ne\} + \mathbf\{F\}_\{n,damp\}
-\end\{equation\}
-
- :line
-
-The {pair_coeff} command also requires specification of the tangential
-contact model. The required keyword {tangential} is expected, followed
-by the model choice and associated parameters. Currently supported
-tangential model choices and their expected parameters are as follows:
-
-{linear_nohistory} : \(x_\{\gamma,t\}\), \(\mu_s\)
-{linear_history} : \(k_t\), \(x_\{\gamma,t\}\), \(\mu_s\)
-{mindlin} : \(k_t\) or NULL, \(x_\{\gamma,t\}\), \(\mu_s\)
-{mindlin_rescale} : \(k_t\) or NULL, \(x_\{\gamma,t\}\), \(\mu_s\) :ol
-
-Here, \(x_\{\gamma,t\}\) is a dimensionless multiplier for the normal
-damping \(\eta_n\) that determines the magnitude of the tangential
-damping, \(\mu_t\) is the tangential (or sliding) friction
-coefficient, and \(k_t\) is the tangential stiffness coefficient.
-
-For {tangential linear_nohistory}, a simple velocity-dependent Coulomb
-friction criterion is used, which mimics the behavior of the {pair
-gran/hooke} style. The tangential force (\mathbf\{F\}_t\) is given by:
-
-\begin\{equation\}
-\mathbf\{F\}_t =  -min(\mu_t F_\{n0\}, \|\mathbf\{F\}_\mathrm\{t,damp\}\|) \mathbf\{t\}
-\end\{equation\}
-
-The tangential damping force \(\mathbf\{F\}_\mathrm\{t,damp\}\) is given by:
-
-\begin\{equation\}
-\mathbf\{F\}_\mathrm\{t,damp\} = -\eta_t \mathbf\{v\}_\{t,rel\}
-\end\{equation\}
-
-The tangential damping prefactor \(\eta_t\) is calculated by scaling
-the normal damping \(\eta_n\) (see above):
-
-\begin\{equation\}
-\eta_t = -x_\{\gamma,t\} \eta_n
-\end\{equation\}
-
-The normal damping prefactor \(\eta_n\) is determined by the choice
-of the {damping} keyword, as discussed above.  Thus, the {damping}
-keyword also affects the tangential damping.  The parameter
-\(x_\{\gamma,t\}\) is a scaling coefficient. Several works in the
-literature use \(x_\{\gamma,t\} = 1\) ("Marshall"_#Marshall2009,
-"Tsuji et al"_#Tsuji1992, "Silbert et al"_#Silbert2001).  The relative
-tangential velocity at the point of contact is given by
-\(\mathbf\{v\}_\{t, rel\} = \mathbf\{v\}_\{t\} - (R_i\Omega_i +
-R_j\Omega_j) \times \mathbf\{n\}\), where \(\mathbf\{v\}_\{t\} =
-\mathbf\{v\}_r - \mathbf\{v\}_r\cdot\mathbf\{n\}\{n\}\),
-\(\mathbf\{v\}_r = \mathbf\{v\}_j - \mathbf\{v\}_i\).
-The direction of the applied force is \(\mathbf\{t\} =
-\mathbf\{v_\{t,rel\}\}/\|\mathbf\{v_\{t,rel\}\}\|\) .
-
-The normal force value \(F_\{n0\}\) used to compute the critical force
-depends on the form of the contact model. For non-cohesive models
-({hertz}, {hertz/material}, {hooke}), it is given by the magnitude of
-the normal force:
-
-\begin\{equation\}
-F_\{n0\} = \|\mathbf\{F\}_n\|
-\end\{equation\}
-
-For cohesive models such as {jkr} and {dmt}, the critical force is
-adjusted so that the critical tangential force approaches \(\mu_t
-F_\{pulloff\}\), see "Marshall"_#Marshall2009, equation 43, and
-"Thornton"_#Thornton1991.  For both models, \(F_\{n0\}\) takes the
-form:
-
-\begin\{equation\}
-F_\{n0\} = \|\mathbf\{F\}_ne + 2 F_\{pulloff\}\|
-\end\{equation\}
-
-Where \(F_\{pulloff\} = 3\pi \gamma R \) for {jkr}, and
-\(F_\{pulloff\} = 4\pi \gamma R \) for {dmt}.
-
-The remaining tangential options all use accumulated tangential
-displacement (i.e. contact history). This is discussed below in the
-context of the {linear_history} option, but the same treatment of the
-accumulated displacement applies to the other options as well.
-
-For {tangential linear_history}, the tangential force is given by:
-
-\begin\{equation\}
-\mathbf\{F\}_t =  -min(\mu_t F_\{n0\}, \|-k_t\mathbf\{\xi\} + \mathbf\{F\}_\mathrm\{t,damp\}\|) \mathbf\{t\}
-\end\{equation\}
-
-Here, \(\mathbf\{\xi\}\) is the tangential displacement accumulated
-during the entire duration of the contact:
-
-\begin\{equation\}
-\mathbf\{\xi\} = \int_\{t0\}^t \mathbf\{v\}_\{t,rel\}(\tau) \mathrm\{d\}\tau
-\end\{equation\}
-
-This accumulated tangential displacement must be adjusted to account
-for changes in the frame of reference of the contacting pair of
-particles during contact. This occurs due to the overall motion of the
-contacting particles in a rigid-body-like fashion during the duration
-of the contact. There are two modes of motion that are relevant: the
-'tumbling' rotation of the contacting pair, which changes the
-orientation of the plane in which tangential displacement occurs; and
-'spinning' rotation of the contacting pair about the vector connecting
-their centers of mass (\(\mathbf\{n\}\)).  Corrections due to the
-former mode of motion are made by rotating the accumulated
-displacement into the plane that is tangential to the contact vector
-at each step, or equivalently removing any component of the tangential
-displacement that lies along \(\mathbf\{n\}\), and rescaling to
-preserve the magnitude.  This follows the discussion in
-"Luding"_#Luding2008, see equation 17 and relevant discussion in that
-work:
-
-\begin\{equation\}
-\mathbf\{\xi\} = \left(\mathbf\{\xi'\} - (\mathbf\{n\} \cdot \mathbf\{\xi'\})\mathbf\{n\}\right) \frac\{\|\mathbf\{\xi'\}\|\}\{\|\mathbf\{\xi'\}\| - \mathbf\{n\}\cdot\mathbf\{\xi'\}\}
-\label\{eq:rotate_displacements\}
-\end\{equation\}
-
-Here, \(\mathbf\{\xi'\}\) is the accumulated displacement prior to the
-current time step and \(\mathbf\{\xi\}\) is the corrected
-displacement. Corrections to the displacement due to the second mode
-of motion described above (rotations about \(\mathbf\{n\}\)) are not
-currently implemented, but are expected to be minor for most
-simulations.
-
-Furthermore, when the tangential force exceeds the critical force, the
-tangential displacement is re-scaled to match the value for the
-critical force (see "Luding"_#Luding2008, equation 20 and related
-discussion):
-
-\begin\{equation\}
-\mathbf\{\xi\} = -\frac\{1\}\{k_t\}\left(\mu_t F_\{n0\}\mathbf\{t\} + \mathbf\{F\}_\{t,damp\}\right)
-\end\{equation\}
-
-The tangential force is added to the total normal force (elastic plus
-damping) to produce the total force on the particle. The tangential
-force also acts at the contact point (defined as the center of the
-overlap region) to induce a torque on each particle according to:
-
-\begin\{equation\}
-\mathbf\{\tau\}_i = -(R_i - 0.5 \delta) \mathbf\{n\} \times \mathbf\{F\}_t
-\end\{equation\}
-
-\begin\{equation\}
-\mathbf\{\tau\}_j = -(R_j - 0.5 \delta) \mathbf\{n\} \times \mathbf\{F\}_t
-\end\{equation\}
-
-For {tangential mindlin}, the "Mindlin"_#Mindlin1949 no-slip solution is used, which differs from the {linear_history}
-option by an additional factor of {a}, the radius of the contact region. The tangential force is given by:
-
-\begin\{equation\}
-\mathbf\{F\}_t =  -min(\mu_t F_\{n0\}, \|-k_t a \mathbf\{\xi\} + \mathbf\{F\}_\mathrm\{t,damp\}\|) \mathbf\{t\}
-\end\{equation\}
-
-Here, {a} is the radius of the contact region, given by \(a =\sqrt\{R\delta\}\)
-for all normal contact models, except for {jkr}, where it is given
-implicitly by \(\delta = a^2/R - 2\sqrt\{\pi \gamma a/E\}\), see
-discussion above. To match the Mindlin solution, one should set \(k_t
-= 8G\), where \(G\) is the shear modulus, related to Young's modulus
-\(E\) by \(G = E/(2(1+\nu))\), where \(\nu\) is Poisson's ratio. This
-can also be achieved by specifying {NULL} for \(k_t\), in which case a
-normal contact model that specifies material parameters \(E\) and
-\(\nu\) is required (e.g. {hertz/material}, {dmt} or {jkr}). In this
-case, mixing of the shear modulus for different particle types {i} and
-{j} is done according to:
-
-\begin\{equation\}
-1/G = 2(2-\nu_i)(1+\nu_i)/E_i + 2(2-\nu_j)(1+\nu_j)/E_j
-\end\{equation\}
-
-The {mindlin_rescale} option uses the same form as {mindlin}, but the
-magnitude of the tangential displacement is re-scaled as the contact
-unloads, i.e. if \(a < a_\{t_\{n-1\}\}\):
-
-\begin\{equation\}
-\mathbf\{\xi\} = \mathbf\{\xi_\{t_\{n-1\}\}\} \frac\{a\}\{a_\{t_\{n-1\}\}\}
-\end\{equation\}
-
-Here, \(t_\{n-1\}\) indicates the value at the previous time
-step. This rescaling accounts for the fact that a decrease in the
-contact area upon unloading leads to the contact being unable to
-support the previous tangential loading, and spurious energy is
-created without the rescaling above ("Walton"_#WaltonPC ). See also
-discussion in "Thornton et al, 2013"_#Thornton2013 , particularly
-equation 18(b) of that work and associated discussion.
-
-:line
-
-The optional {rolling} keyword enables rolling friction, which resists
-pure rolling motion of particles. The options currently supported are:
-
-{none}
-{sds} : \(k_\{roll\}\), \(\gamma_\{roll\}\), \(\mu_\{roll\}\)  :ol
-
-If the {rolling} keyword is not specified, the model defaults to {none}.
-
-For {rolling sds}, rolling friction is computed via a
-spring-dashpot-slider, using a 'pseudo-force' formulation, as detailed
-by "Luding"_#Luding2008. Unlike the formulation in
-"Marshall"_#Marshall2009, this allows for the required adjustment of
-rolling displacement due to changes in the frame of reference of the
-contacting pair.  The rolling pseudo-force is computed analogously to
-the tangential force:
-
-\begin\{equation\}
-\mathbf\{F\}_\{roll,0\} =  k_\{roll\} \mathbf\{\xi\}_\{roll\}  - \gamma_\{roll\} \mathbf\{v\}_\{roll\}
-\end\{equation\}
-
-Here, \(\mathbf\{v\}_\{roll\} = -R(\mathbf\{\Omega\}_i -
-\mathbf\{\Omega\}_j) \times \mathbf\{n\}\) is the relative rolling
-velocity, as given in "Wang et al"_#Wang2015 and
-"Luding"_#Luding2008. This differs from the expressions given by "Kuhn
-and Bagi"_#Kuhn2004 and used in "Marshall"_#Marshall2009; see "Wang et
-al"_#Wang2015 for details. The rolling displacement is given by:
-
-\begin\{equation\}
-\mathbf\{\xi\}_\{roll\} = \int_\{t_0\}^t \mathbf\{v\}_\{roll\} (\tau) \mathrm\{d\} \tau
-\end\{equation\}
-
-A Coulomb friction criterion truncates the rolling pseudo-force if it
-exceeds a critical value:
-
-\begin\{equation\}
-\mathbf\{F\}_\{roll\} =  min(\mu_\{roll\} F_\{n,0\}, \|\mathbf\{F\}_\{roll,0\}\|)\mathbf\{k\}
-\end\{equation\}
-
-Here, \(\mathbf\{k\} =
-\mathbf\{v\}_\{roll\}/\|\mathbf\{v\}_\{roll\}\|\) is the direction of
-the pseudo-force.  As with tangential displacement, the rolling
-displacement is rescaled when the critical force is exceeded, so that
-the spring length corresponds the critical force. Additionally, the
-displacement is adjusted to account for rotations of the frame of
-reference of the two contacting particles in a manner analogous to the
-tangential displacement.
-
-The rolling pseudo-force does not contribute to the total force on
-either particle (hence 'pseudo'), but acts only to induce an equal and
-opposite torque on each particle, according to:
-
-\begin\{equation\}
-\tau_\{roll,i\} =  R_\{eff\} \mathbf\{n\} \times \mathbf\{F\}_\{roll\}
-\end\{equation\}
-
-\begin\{equation\}
-\tau_\{roll,j\} =  -\tau_\{roll,i\}
-\end\{equation\}
-
-:line
-
-The optional {twisting} keyword enables twisting friction, which
-resists rotation of two contacting particles about the vector
-\(\mathbf\{n\}\) that connects their centers. The options currently
-supported are:
-
-{none}
-{sds} : \(k_\{twist\}\), \(\gamma_\{twist\}\), \(\mu_\{twist\}\)
-{marshall} :ol
-
-If the {twisting} keyword is not specified, the model defaults to {none}.
-
-For both {twisting sds} and {twisting marshall}, a history-dependent
-spring-dashpot-slider is used to compute the twisting torque. Because
-twisting displacement is a scalar, there is no need to adjust for
-changes in the frame of reference due to rotations of the particle
-pair. The formulation in "Marshall"_#Marshall2009 therefore provides
-the most straightforward treatment:
-
-\begin\{equation\}
-\tau_\{twist,0\} = -k_\{twist\}\xi_\{twist\} - \gamma_\{twist\}\Omega_\{twist\}
-\end\{equation\}
-
-Here \(\xi_\{twist\} = \int_\{t_0\}^t \Omega_\{twist\} (\tau)
-\mathrm\{d\}\tau\) is the twisting angular displacement, and
-\(\Omega_\{twist\} = (\mathbf\{\Omega\}_i - \mathbf\{\Omega\}_j) \cdot
-\mathbf\{n\}\) is the relative twisting angular velocity. The torque
-is then truncated according to:
-
-\begin\{equation\}
-\tau_\{twist\} = min(\mu_\{twist\} F_\{n,0\}, \tau_\{twist,0\})
-\end\{equation\}
-
-Similar to the sliding and rolling displacement, the angular
-displacement is rescaled so that it corresponds to the critical value
-if the twisting torque exceeds this critical value:
-
-\begin\{equation\}
-\xi_\{twist\} = \frac\{1\}\{k_\{twist\}\} (\mu_\{twist\} F_\{n,0\}sgn(\Omega_\{twist\}) - \gamma_\{twist\}\Omega_\{twist\})
-\end\{equation\}
-
-For {twisting sds}, the coefficients \(k_\{twist\}, \gamma_\{twist\}\)
-and \(\mu_\{twist\}\) are simply the user input parameters that follow
-the {twisting sds} keywords in the {pair_coeff} command.
-
-For {twisting_marshall}, the coefficients are expressed in terms of
-sliding friction coefficients, as discussed in
-"Marshall"_#Marshall2009 (see equations 32 and 33 of that work):
-
-\begin\{equation\}
-k_\{twist\} = 0.5k_ta^2
-\end\{equation\}
-
-\begin\{equation\}
-\eta_\{twist\} = 0.5\eta_ta^2
-\end\{equation\}
-
-\begin\{equation\}
-\mu_\{twist\} = \frac\{2\}\{3\}a\mu_t
-\end\{equation\}
-
-Finally, the twisting torque on each particle is given by:
-
-\begin\{equation\}
-\mathbf\{\tau\}_\{twist,i\} = \tau_\{twist\}\mathbf\{n\}
-\end\{equation\}
-
-\begin\{equation\}
-\mathbf\{\tau\}_\{twist,j\} = -\mathbf\{\tau\}_\{twist,i\}
-\end\{equation\}
-
-:line
-
-The {granular} pair style can reproduce the behavior of the
-{pair gran/*} styles with the appropriate settings (some very
-minor differences can be expected due to corrections in
-displacement history frame-of-reference, and the application
-of the torque at the center of the contact rather than
-at each particle). The first example above
-is equivalent to {pair gran/hooke 1000.0 NULL 50.0 50.0 0.4 1}.
-The second example is equivalent to
-{pair gran/hooke/history 1000.0 500.0 50.0 50.0 0.4 1}.
-The third example is equivalent to
-{pair gran/hertz/history 1000.0 500.0 50.0 50.0 0.4 1}.
-
-:line
-
-LAMMPS automatically sets pairwise cutoff values for {pair_style
-granular} based on particle radii (and in the case of {jkr} pull-off
-distances). In the vast majority of situations, this is adequate.
-However, a cutoff value can optionally be appended to the {pair_style
-granular} command to specify a global cutoff (i.e. a cutoff for all
-atom types). Additionally, the optional {cutoff} keyword can be passed
-to the {pair_coeff} command, followed by a cutoff value.  This will
-set a pairwise cutoff for the atom types in the {pair_coeff} command.
-These options may be useful in some rare cases where the automatic
-cutoff determination is not sufficient, e.g.  if particle diameters
-are being modified via the {fix adapt} command. In that case, the
-global cutoff specified as part of the {pair_style granular} command
-is applied to all atom types, unless it is overridden for a given atom
-type combination by the {cutoff} value specified in the {pair coeff}
-command.  If {cutoff} is only specified in the {pair coeff} command
-and no global cutoff is appended to the {pair_style granular} command,
-then LAMMPS will use that cutoff for the specified atom type
-combination, and automatically set pairwise cutoffs for the remaining
-atom types.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Mixing, shift, table, tail correction, restart, rRESPA info]:
-
-The "pair_modify"_pair_modify.html mix, shift, table, and tail options
-are not relevant for granular pair styles.
-
-Mixing of coefficients is carried out using geometric averaging for
-most quantities, e.g. if friction coefficient for type 1-type 1
-interactions is set to \(\mu_1\), and friction coefficient for type
-2-type 2 interactions is set to \(\mu_2\), the friction coefficient
-for type1-type2 interactions is computed as \(\sqrt\{\mu_1\mu_2\}\)
-(unless explicitly specified to a different value by a {pair_coeff 1 2
-...} command). The exception to this is elastic modulus, only
-applicable to {hertz/material}, {dmt} and {jkr} normal contact
-models. In that case, the effective elastic modulus is computed as:
-
-\begin\{equation\}
-E_\{eff,ij\} = \left(\frac\{1-\nu_i^2\}\{E_i\} + \frac\{1-\nu_j^2\}\{E_j\}\right)^\{-1\}
-\end\{equation\}
-
-If the {i-j} coefficients \(E_\{ij\}\) and \(\nu_\{ij\}\) are
-explicitly specified, the effective modulus is computed as:
-
-\begin\{equation\}
-E_\{eff,ij\} = \left(\frac\{1-\nu_\{ij\}^2\}\{E_\{ij\}\} + \frac\{1-\nu_\{ij\}^2\}\{E_\{ij\}\}\right)^\{-1\}
-\end\{equation\}
-
-or
-
-\begin\{equation\}
-E_\{eff,ij\} = \frac\{E_\{ij\}\}\{2(1-\nu_\{ij\})\}
-\end\{equation\}
-
-These pair styles write their information to "binary restart
-files"_restart.html, so a pair_style command does not need to be
-specified in an input script that reads a restart file.
-
-These pair styles can only be used via the {pair} keyword of the
-"run_style respa"_run_style.html command.  They do not support the
-{inner}, {middle}, {outer} keywords.
-
-The single() function of these pair styles returns 0.0 for the energy
-of a pairwise interaction, since energy is not conserved in these
-dissipative potentials.  It also returns only the normal component of
-the pairwise interaction force.  However, the single() function also
-calculates 12 extra pairwise quantities.  The first 3 are the
-components of the tangential force between particles I and J, acting
-on particle I.  The 4th is the magnitude of this tangential force.
-The next 3 (5-7) are the components of the rolling torque acting on
-particle I. The next entry (8) is the magnitude of the rolling torque.
-The next entry (9) is the magnitude of the twisting torque acting
-about the vector connecting the two particle centers.
-The last 3 (10-12) are the components of the vector connecting
-the centers of the two particles (x_I - x_J).
-
-These extra quantities can be accessed by the "compute
-pair/local"_compute_pair_local.html command, as {p1}, {p2}, ...,
-{p12}.
-
-:line
-
-[Restrictions:]
-
-All the granular pair styles are part of the GRANULAR package.  It is
-only enabled if LAMMPS was built with that package.  See the "Build
-package"_Build_package.html doc page for more info.
-
-These pair styles require that atoms store torque and angular velocity
-(omega) as defined by the "atom_style"_atom_style.html.  They also
-require a per-particle radius is stored.  The {sphere} atom style does
-all of this.
-
-This pair style requires you to use the "comm_modify vel
-yes"_comm_modify.html command so that velocities are stored by ghost
-atoms.
-
-These pair styles will not restart exactly when using the
-"read_restart"_read_restart.html command, though they should provide
-statistically similar results.  This is because the forces they
-compute depend on atom velocities.  See the
-"read_restart"_read_restart.html command for more details.
-
-[Related commands:]
-
-"pair_coeff"_pair_coeff.html
-"pair gran/*"_pair_gran.html
-
-[Default:]
-
-For the {pair_coeff} settings: {damping viscoelastic}, {rolling none},
-{twisting none}.
-
-[References:]
-
-:link(Brill1996)
-[(Brilliantov et al, 1996)] Brilliantov, N. V., Spahn, F., Hertzsch,
-J. M., & Poschel, T. (1996).  Model for collisions in granular
-gases. Physical review E, 53(5), 5382.
-
-:link(Tsuji1992)
-[(Tsuji et al, 1992)] Tsuji, Y., Tanaka, T., & Ishida,
-T. (1992). Lagrangian numerical simulation of plug flow of
-cohesionless particles in a horizontal pipe. Powder technology, 71(3),
-239-250.
-
-:link(JKR1971)
-[(Johnson et al, 1971)] Johnson, K. L., Kendall, K., & Roberts,
-A. D. (1971).  Surface energy and the contact of elastic
-solids. Proc. R. Soc. Lond. A, 324(1558), 301-313.
-
-:link(DMT1975)
-[Derjaguin et al, 1975)] Derjaguin, B. V., Muller, V. M., & Toporov,
-Y. P. (1975). Effect of contact deformations on the adhesion of
-particles. Journal of Colloid and interface science, 53(2), 314-326.
-
-:link(Luding2008)
-[(Luding, 2008)] Luding, S. (2008). Cohesive, frictional powders:
-contact models for tension. Granular matter, 10(4), 235.
-
-:link(Marshall2009)
-[(Marshall, 2009)] Marshall, J. S. (2009). Discrete-element modeling
-of particulate aerosol flows.  Journal of Computational Physics,
-228(5), 1541-1561.
-
-:link(Silbert2001)
-[(Silbert, 2001)] Silbert, L. E., Ertas, D., Grest, G. S., Halsey,
-T. C., Levine, D., & Plimpton, S. J. (2001).  Granular flow down an
-inclined plane: Bagnold scaling and rheology. Physical Review E,
-64(5), 051302.
-
-:link(Kuhn2004)
-[(Kuhn and Bagi, 2005)] Kuhn, M. R., & Bagi, K. (2004). Contact
-rolling and deformation in granular media.  International journal of
-solids and structures, 41(21), 5793-5820.
-
-:link(Wang2015)
-[(Wang et al, 2015)] Wang, Y., Alonso-Marroquin, F., & Guo,
-W. W. (2015).  Rolling and sliding in 3-D discrete element
-models. Particuology, 23, 49-55.
-
-:link(Thornton1991)
-[(Thornton, 1991)] Thornton, C. (1991). Interparticle sliding in the
-presence of adhesion.  J. Phys. D: Appl. Phys. 24 1942
-
-:link(Mindlin1949)
-[(Mindlin, 1949)] Mindlin, R. D. (1949). Compliance of elastic bodies
-in contact.  J. Appl. Mech., ASME 16, 259-268.
-
-:link(Thornton2013)
-[(Thornton et al, 2013)] Thornton, C., Cummins, S. J., & Cleary,
-P. W. (2013).  An investigation of the comparative behaviour of
-alternative contact force models during inelastic collisions. Powder
-Technology, 233, 30-46.
-
-:link(WaltonPC)
-[(Otis R. Walton)] Walton, O.R., Personal Communication
diff --git a/doc/txt/pair_lj.txt b/doc/txt/pair_lj.txt
deleted file mode 100644
index 8dce8383e5..0000000000
--- a/doc/txt/pair_lj.txt
+++ /dev/null
@@ -1,348 +0,0 @@
-"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
-
-:link(lws,http://lammps.sandia.gov)
-:link(ld,Manual.html)
-:link(lc,Commands_all.html)
-
-:line
-
-pair_style lj/cut command :h3
-pair_style lj/cut/gpu command :h3
-pair_style lj/cut/intel command :h3
-pair_style lj/cut/kk command :h3
-pair_style lj/cut/opt command :h3
-pair_style lj/cut/omp command :h3
-pair_style lj/cut/coul/cut command :h3
-pair_style lj/cut/coul/cut/gpu command :h3
-pair_style lj/cut/coul/cut/kk command :h3
-pair_style lj/cut/coul/cut/omp command :h3
-pair_style lj/cut/coul/debye command :h3
-pair_style lj/cut/coul/debye/gpu command :h3
-pair_style lj/cut/coul/debye/kk command :h3
-pair_style lj/cut/coul/debye/omp command :h3
-pair_style lj/cut/coul/dsf command :h3
-pair_style lj/cut/coul/dsf/gpu command :h3
-pair_style lj/cut/coul/dsf/kk command :h3
-pair_style lj/cut/coul/dsf/omp command :h3
-pair_style lj/cut/coul/long command :h3
-pair_style lj/cut/coul/long/gpu command :h3
-pair_style lj/cut/coul/long/kk command :h3
-pair_style lj/cut/coul/long/intel command :h3
-pair_style lj/cut/coul/long/opt command :h3
-pair_style lj/cut/coul/long/omp command :h3
-pair_style lj/cut/coul/msm command :h3
-pair_style lj/cut/coul/msm/gpu command :h3
-pair_style lj/cut/coul/msm/omp command :h3
-pair_style lj/cut/coul/wolf command :h3
-pair_style lj/cut/coul/wolf/omp command :h3
-pair_style lj/cut/tip4p/cut command :h3
-pair_style lj/cut/tip4p/cut/omp command :h3
-pair_style lj/cut/tip4p/long command :h3
-pair_style lj/cut/tip4p/long/omp command :h3
-pair_style lj/cut/tip4p/long/opt command :h3
-
-[Syntax:]
-
-pair_style style args :pre
-
-style = {lj/cut} or {lj/cut/coul/cut} or {lj/cut/coul/debye} or {lj/cut/coul/dsf} or {lj/cut/coul/long} {lj/cut/coul/msm} or {lj/cut/tip4p/long}
-args = list of arguments for a particular style :ul
-  {lj/cut} args = cutoff
-    cutoff = global cutoff for Lennard Jones interactions (distance units)
-  {lj/cut/coul/cut} args = cutoff (cutoff2)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units)
-  {lj/cut/coul/debye} args = kappa cutoff (cutoff2)
-    kappa = inverse of the Debye length (inverse distance units)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units)
-  {lj/cut/coul/dsf} args = alpha cutoff (cutoff2)
-    alpha = damping parameter (inverse distance units)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (distance units)
-  {lj/cut/coul/long} args = cutoff (cutoff2)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units)
-  {lj/cut/coul/msm} args = cutoff (cutoff2)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units)
-  {lj/cut/coul/wolf} args = alpha cutoff (cutoff2)
-    alpha = damping parameter (inverse distance units)
-    cutoff = global cutoff for LJ (and Coulombic if only 2 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units)
-  {lj/cut/tip4p/cut} args = otype htype btype atype qdist cutoff (cutoff2)
-    otype,htype = atom types for TIP4P O and H
-    btype,atype = bond and angle types for TIP4P waters
-    qdist = distance from O atom to massless charge (distance units)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units)
-  {lj/cut/tip4p/long} args = otype htype btype atype qdist cutoff (cutoff2)
-    otype,htype = atom types for TIP4P O and H
-    btype,atype = bond and angle types for TIP4P waters
-    qdist = distance from O atom to massless charge (distance units)
-    cutoff = global cutoff for LJ (and Coulombic if only 1 arg) (distance units)
-    cutoff2 = global cutoff for Coulombic (optional) (distance units) :pre
-
-[Examples:]
-
-pair_style lj/cut 2.5
-pair_coeff * * 1 1
-pair_coeff 1 1 1 1.1 2.8 :pre
-
-pair_style lj/cut/coul/cut 10.0
-pair_style lj/cut/coul/cut 10.0 8.0
-pair_coeff * * 100.0 3.0
-pair_coeff 1 1 100.0 3.5 9.0
-pair_coeff 1 1 100.0 3.5 9.0 9.0 :pre
-
-pair_style lj/cut/coul/debye 1.5 3.0
-pair_style lj/cut/coul/debye 1.5 2.5 5.0
-pair_coeff * * 1.0 1.0
-pair_coeff 1 1 1.0 1.5 2.5
-pair_coeff 1 1 1.0 1.5 2.5 5.0 :pre
-
-pair_style lj/cut/coul/dsf 0.05 2.5 10.0
-pair_coeff * * 1.0 1.0
-pair_coeff 1 1 1.0 1.0 2.5 :pre
-
-pair_style lj/cut/coul/long 10.0
-pair_style lj/cut/coul/long 10.0 8.0
-pair_coeff * * 100.0 3.0
-pair_coeff 1 1 100.0 3.5 9.0 :pre
-
-pair_style lj/cut/coul/msm 10.0
-pair_style lj/cut/coul/msm 10.0 8.0
-pair_coeff * * 100.0 3.0
-pair_coeff 1 1 100.0 3.5 9.0 :pre
-
-pair_style lj/cut/tip4p/cut 1 2 7 8 0.15 12.0
-pair_style lj/cut/tip4p/cut 1 2 7 8 0.15 12.0 10.0
-pair_coeff * * 100.0 3.0
-pair_coeff 1 1 100.0 3.5 9.0 :pre
-
-pair_style lj/cut/coul/wolf 0.2 5. 10.0
-pair_coeff * * 1.0 1.0
-pair_coeff 1 1 1.0 1.0 2.5 :pre
-
-pair_style lj/cut/tip4p/long 1 2 7 8 0.15 12.0
-pair_style lj/cut/tip4p/long 1 2 7 8 0.15 12.0 10.0
-pair_coeff * * 100.0 3.0
-pair_coeff 1 1 100.0 3.5 9.0 :pre
-
-[Description:]
-
-The {lj/cut} styles compute the standard 12/6 Lennard-Jones potential,
-given by
-
-:c,image(Eqs/pair_lj.jpg)
-
-Rc is the cutoff.
-
-Style {lj/cut/coul/cut} adds a Coulombic pairwise interaction given by
-
-:c,image(Eqs/pair_coulomb.jpg)
-
-where C is an energy-conversion constant, Qi and Qj are the charges on
-the 2 atoms, and epsilon is the dielectric constant which can be set
-by the "dielectric"_dielectric.html command.  If one cutoff is
-specified in the pair_style command, it is used for both the LJ and
-Coulombic terms.  If two cutoffs are specified, they are used as
-cutoffs for the LJ and Coulombic terms respectively.
-
-Style {lj/cut/coul/debye} adds an additional exp() damping factor
-to the Coulombic term, given by
-
-:c,image(Eqs/pair_debye.jpg)
-
-where kappa is the inverse of the Debye length.  This potential is
-another way to mimic the screening effect of a polar solvent.
-
-Style {lj/cut/coul/dsf} computes the Coulombic term via the damped
-shifted force model described in "Fennell"_#Fennell2, given by:
-
-:c,image(Eqs/pair_coul_dsf.jpg)
-
-where {alpha} is the damping parameter and erfc() is the complementary
-error-function. This potential is essentially a short-range,
-spherically-truncated, charge-neutralized, shifted, pairwise {1/r}
-summation.  The potential is based on Wolf summation, proposed as an
-alternative to Ewald summation for condensed phase systems where
-charge screening causes electrostatic interactions to become
-effectively short-ranged. In order for the electrostatic sum to be
-absolutely convergent, charge neutralization within the cutoff radius
-is enforced by shifting the potential through placement of image
-charges on the cutoff sphere. Convergence can often be improved by
-setting {alpha} to a small non-zero value.
-
-Styles {lj/cut/coul/long} and {lj/cut/coul/msm} compute the same
-Coulombic interactions as style {lj/cut/coul/cut} except that an
-additional damping factor is applied to the Coulombic term so it can
-be used in conjunction with the "kspace_style"_kspace_style.html
-command and its {ewald} or {pppm} option.  The Coulombic cutoff
-specified for this style means that pairwise interactions within this
-distance are computed directly; interactions outside that distance are
-computed in reciprocal space.
-
-Style {coul/wolf} adds a Coulombic pairwise interaction via the Wolf
-summation method, described in "Wolf"_#Wolf1, given by:
-
-:c,image(Eqs/pair_coul_wolf.jpg)
-
-where {alpha} is the damping parameter, and erfc() is the
-complementary error-function terms.  This potential
-is essentially a short-range, spherically-truncated,
-charge-neutralized, shifted, pairwise {1/r} summation.  With a
-manipulation of adding and subtracting a self term (for i = j) to the
-first and second term on the right-hand-side, respectively, and a
-small enough {alpha} damping parameter, the second term shrinks and
-the potential becomes a rapidly-converging real-space summation.  With
-a long enough cutoff and small enough alpha parameter, the energy and
-forces calculated by the Wolf summation method approach those of the
-Ewald sum.  So it is a means of getting effective long-range
-interactions with a short-range potential.
-
-Styles {lj/cut/tip4p/cut} and {lj/cut/tip4p/long} implement the TIP4P
-water model of "(Jorgensen)"_#Jorgensen2, which introduces a massless
-site located a short distance away from the oxygen atom along the
-bisector of the HOH angle.  The atomic types of the oxygen and
-hydrogen atoms, the bond and angle types for OH and HOH interactions,
-and the distance to the massless charge site are specified as
-pair_style arguments.  Style {lj/cut/tip4p/cut} uses a cutoff for
-Coulomb interactions; style {lj/cut/tip4p/long} is for use with a
-long-range Coulombic solver (Ewald or PPPM).
-
-NOTE: For each TIP4P water molecule in your system, the atom IDs for
-the O and 2 H atoms must be consecutive, with the O atom first.  This
-is to enable LAMMPS to "find" the 2 H atoms associated with each O
-atom.  For example, if the atom ID of an O atom in a TIP4P water
-molecule is 500, then its 2 H atoms must have IDs 501 and 502.
-
-See the "Howto tip4p"_Howto_tip4p.html doc page for more information
-on how to use the TIP4P pair styles and lists of parameters to set.
-Note that the neighbor list cutoff for Coulomb interactions is
-effectively extended by a distance 2*qdist when using the TIP4P pair
-style, to account for the offset distance of the fictitious charges on
-O atoms in water molecules.  Thus it is typically best in an
-efficiency sense to use a LJ cutoff >= Coulombic cutoff + 2*qdist, to
-shrink the size of the neighbor list.  This leads to slightly larger
-cost for the long-range calculation, so you can test the trade-off for
-your model.
-
-For all of the {lj/cut} pair styles, the following coefficients must
-be defined for each pair of atoms types via the
-"pair_coeff"_pair_coeff.html command as in the examples above, or in
-the data file or restart files read by the "read_data"_read_data.html
-or "read_restart"_read_restart.html commands, or by mixing as
-described below:
-
-epsilon (energy units)
-sigma (distance units)
-cutoff1 (distance units)
-cutoff2 (distance units) :ul
-
-Note that sigma is defined in the LJ formula as the zero-crossing
-distance for the potential, not as the energy minimum at 2^(1/6)
-sigma.
-
-The latter 2 coefficients are optional.  If not specified, the global
-LJ and Coulombic cutoffs specified in the pair_style command are used.
-If only one cutoff is specified, it is used as the cutoff for both LJ
-and Coulombic interactions for this type pair.  If both coefficients
-are specified, they are used as the LJ and Coulombic cutoffs for this
-type pair.  You cannot specify 2 cutoffs for style {lj/cut}, since it
-has no Coulombic terms.
-
-For {lj/cut/coul/long} and {lj/cut/coul/msm} and {lj/cut/tip4p/cut}
-and {lj/cut/tip4p/long} only the LJ cutoff can be specified since a
-Coulombic cutoff cannot be specified for an individual I,J type pair.
-All type pairs use the same global Coulombic cutoff specified in the
-pair_style command.
-
-:line
-
-A version of these styles with a soft core, {lj/cut/soft}, suitable for use in
-free energy calculations, is part of the USER-FEP package and is documented with
-the "pair_fep_soft"_pair_fep_soft.html styles. The version with soft core is
-only available if LAMMPS was built with that package. See the "Build
-package"_Build_package.html doc page for more info.
-
-:line
-
-Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
-functionally the same as the corresponding style without the suffix.
-They have been optimized to run faster, depending on your available
-hardware, as discussed on the "Speed packages"_Speed_packages.html doc
-page.  The accelerated styles take the same arguments and should
-produce the same results, except for round-off and precision issues.
-
-These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
-USER-OMP and OPT packages, respectively.  They are only enabled if
-LAMMPS was built with those packages.  See the "Build
-package"_Build_package.html doc page for more info.
-
-You can specify the accelerated styles explicitly in your input script
-by including their suffix, or you can use the "-suffix command-line
-switch"_Run_options.html when you invoke LAMMPS, or you can use the
-"suffix"_suffix.html command in your input script.
-
-See the "Speed packages"_Speed_packages.html doc page for more
-instructions on how to use the accelerated styles effectively.
-
-:line
-
-[Mixing, shift, table, tail correction, restart, rRESPA info]:
-
-For atom type pairs I,J and I != J, the epsilon and sigma coefficients
-and cutoff distance for all of the lj/cut pair styles can be mixed.
-The default mix value is {geometric}.  See the "pair_modify" command
-for details.
-
-All of the {lj/cut} pair styles support the
-"pair_modify"_pair_modify.html shift option for the energy of the
-Lennard-Jones portion of the pair interaction.
-
-The {lj/cut/coul/long} and {lj/cut/tip4p/long} pair styles support the
-"pair_modify"_pair_modify.html table option since they can tabulate
-the short-range portion of the long-range Coulombic interaction.
-
-All of the {lj/cut} pair styles support the
-"pair_modify"_pair_modify.html tail option for adding a long-range
-tail correction to the energy and pressure for the Lennard-Jones
-portion of the pair interaction.
-
-All of the {lj/cut} pair styles write their information to "binary
-restart files"_restart.html, so pair_style and pair_coeff commands do
-not need to be specified in an input script that reads a restart file.
-
-The {lj/cut} and {lj/cut/coul/long} pair styles support the use of the
-{inner}, {middle}, and {outer} keywords of the "run_style
-respa"_run_style.html command, meaning the pairwise forces can be
-partitioned by distance at different levels of the rRESPA hierarchy.
-The other styles only support the {pair} keyword of run_style respa.
-See the "run_style"_run_style.html command for details.
-
-:line
-
-[Restrictions:]
-
-The {lj/cut/coul/long} and {lj/cut/tip4p/long} styles are part of the
-KSPACE package. The {lj/cut/tip4p/cut} style is part of the MOLECULE
-package. These styles are only enabled if LAMMPS was built with those
-packages.  See the "Build package"_Build_package.html doc page for
-more info.
-
-[Related commands:]
-
-"pair_coeff"_pair_coeff.html
-
-[Default:] none
-
-:line
-
-:link(Jorgensen2)
-[(Jorgensen)] Jorgensen, Chandrasekhar, Madura, Impey, Klein, J Chem
-Phys, 79, 926 (1983).
-
-:link(Fennell2)
-[(Fennell)] C. J. Fennell, J. D. Gezelter, J Chem Phys, 124,
-234104 (2006).