forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
28fce3b01d
commit
cdd4c56296
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@ -1000,15 +1000,9 @@ triclinic.
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<DD>Self-explanatory.
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<DT><I>Compute erotate/asphere requires extended particles</I>
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<DT><I>Compute ID for compute heat/flux does not exist</I>
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<DD>This quantity can only be calculated for particles with a shape
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setting.
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<DT><I>Compute temp/asphere requires extended particles</I>
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<DD>This quantity can only be calculated for particles with a shape
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setting.
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<DD>Self-explanatory.
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<DT><I>Compute ID for compute reduce does not exist</I>
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@ -1057,6 +1051,11 @@ since those atoms are not in the neighbor list.
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<DD>Damage is a Peridynamic-specific metric. It requires you
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to be running a Peridynamics simulation.
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<DT><I>Compute does not allow an extra compute to be reset</I>
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<DD>This is an internal LAMMPS error. Please report it to the
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developers.
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<DT><I>Compute erotate/asphere cannot be used with atom attributes diameter or rmass</I>
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<DD>These attributes override the shape and mass settings, so cannot be
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@ -1066,6 +1065,10 @@ used.
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<DD>An atom style that defines these attributes must be used.
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<DT><I>Compute erotate/asphere requires extended particles</I>
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<DD>This compute cannot be used with point paritlces.
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<DT><I>Compute erotate/sphere requires atom attribute omega</I>
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<DD>An atom style that defines this attribute must be used.
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@ -1082,6 +1085,14 @@ used.
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<DD>Self-explanatory.
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<DT><I>Compute heat/flux compute ID does not compute pe/atom</I>
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<DD>Self-explanatory.
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<DT><I>Compute heat/flux requires ghost atoms store velocity</I>
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<DD>An atom style that stores this, like atom_style dpd, must be used.
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<DT><I>Compute pe must use group all</I>
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<DD>Energies computed by potentials (pair, bond, etc) are computed on all
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@ -1092,7 +1103,7 @@ atoms.
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<DD>Virial contributions computed by potentials (pair, bond, etc) are
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computed on all atoms.
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<DT><I>Compute pressure temp ID does not compute temperature</I>
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<DT><I>Compute pressure temperature ID does not compute temperature</I>
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<DD>The compute ID assigned to a pressure computation must compute
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temperature.
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@ -1138,11 +1149,11 @@ used.
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<DD>An atom style that defines these attributes must be used.
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<DT><I>Compute temp/partial cannot use vz for 2d systems</I>
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<DT><I>Compute temp/asphere requires extended particles</I>
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<DD>Self-explanatory.
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<DD>This compute cannot be used with point paritlces.
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<DT><I>Compute temp/profile cannot use vz for 2d systems</I>
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<DT><I>Compute temp/partial cannot use vz for 2d systemx</I>
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<DD>Self-explanatory.
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@ -1150,6 +1161,10 @@ used.
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<DD>Self-explanatory.
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<DT><I>Compute temp/profile cannot use vz for 2d systemx</I>
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<DD>Self-explanatory.
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<DT><I>Compute temp/sphere requires atom attribute omega</I>
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<DD>An atom style that defines this attribute must be used.
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@ -1222,7 +1237,11 @@ temperature is 0.0.
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<DD>Self-explanatory.
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<DT><I>Could not find compute pressure temp ID</I>
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<DT><I>Could not find compute heat/flux compute ID</I>
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<DD>Self-explanatory.
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<DT><I>Could not find compute pressure temperature ID</I>
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<DD>The compute ID for calculating temperature does not exist.
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@ -1230,10 +1249,6 @@ temperature is 0.0.
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<DD>Self-explanatory.
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<DT><I>Could not find group delete ID</I>
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<DD>Self-explanatory.
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<DT><I>Could not find delete_atoms group ID</I>
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<DD>Group ID used in the delete_atoms command does not exist.
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@ -1295,10 +1310,14 @@ does not exist.
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<DD>The compute ID for computing pressure does not exist.
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<DT><I>Could not find fix_modify temp ID</I>
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<DT><I>Could not find fix_modify temperature ID</I>
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<DD>The compute ID for computing temperature does not exist.
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<DT><I>Could not find group delete group ID</I>
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<DD>Self-explanatory.
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<DT><I>Could not find set group ID</I>
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<DD>Group ID specified in set command does not exist.
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@ -1325,12 +1344,12 @@ quantity does not exist.
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<DD>Fix ID specified in thermo_style command does not exist.
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<DT><I>Could not find thermo_modify press ID</I>
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<DT><I>Could not find thermo_modify pressure ID</I>
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<DD>The compute ID needed by thermo style custom to compute pressure does
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not exist.
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<DT><I>Could not find thermo_modify temp ID</I>
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<DT><I>Could not find thermo_modify temperature ID</I>
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<DD>The compute ID needed by thermo style custom to compute temperature does
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not exist.
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@ -1343,7 +1362,7 @@ not exist.
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<DD>A group ID used in the velocity command does not exist.
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<DT><I>Could not find velocity temp ID</I>
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<DT><I>Could not find velocity temperature ID</I>
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<DD>The compute ID needed by the velocity command to compute temperature
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does not exist.
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@ -2000,6 +2019,11 @@ error occurs, it is likely a bug, so send an email to the
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<DD>Cannot use the rdf fix unless a pair style with a cutoff has been
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defined.
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<DT><I>Fix reax/bonds numbonds > nsbmax_most</I>
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<DD>The limit of the number of bonds expected by the ReaxFF force field
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was exceeded.
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<DT><I>Fix recenter group has no atoms</I>
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<DD>Self-explanatory.
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@ -2060,10 +2084,6 @@ details.
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<DD>Self-explanatory.
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<DT><I>Invalid random number seed in fix ttm command</I>
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<DD>Random number seed must be > 0.
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<DT><I>Fix ttm v_0 must be >= 0.0</I>
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<DD>Self-explanatory.
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@ -2098,7 +2118,7 @@ this fix.
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<DD>The compute ID assigned to the fix must compute pressure.
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<DT><I>Fix_modify temp ID does not compute temperature</I>
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<DT><I>Fix_modify temperature ID does not compute temperature</I>
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<DD>The compute ID assigned to the fix must compute temperature.
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@ -2340,6 +2360,11 @@ simulation box.
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<DD>Eigensolve for rigid body was not sufficiently accurate.
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<DT><I>Invalid REAX atom type</I>
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<DD>There is a mis-match between LAMMPS atom types and the elements
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listed in the ReaxFF force field file.
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<DT><I>Invalid angle style</I>
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<DD>The choice of angle style is unknown.
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@ -2545,6 +2570,10 @@ the command you are using to launch LAMMPS.
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<DD>Atom style does not allow dihedrals.
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<DT><I>Invalid density in Atoms section of data file</I>
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<DD>Density value cannot be <= 0.0.
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<DT><I>Invalid dihedral style</I>
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<DD>The choice of dihedral style is unknown.
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@ -2593,6 +2622,11 @@ to be written by each processor.
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<DD>The fix is not recognized.
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<DT><I>Invalid fix box/relax command for a 2d simulation</I>
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<DD>Fix box/relax styles involving the z dimension cannot be used in
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a 2d simulation.
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<DT><I>Invalid fix nph command for a 2d simulation</I>
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<DD>Cannot use style xy, yz, or xz for a 2d simulation.
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@ -2738,6 +2772,10 @@ kspace, etc.
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<DD>Radius must be >= 0.0.
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<DT><I>Invalid random number seed in fix ttm command</I>
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<DD>Random number seed must be > 0.
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<DT><I>Invalid random number seed in set command</I>
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<DD>Random number seed must be > 0.
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@ -3453,18 +3491,23 @@ not be invoked by bond_style quartic.
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<DT><I>Pair style does not support compute group/group</I>
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<P>The pair_style does not have a single() function, so it cannot be
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invokded by the compute group/group command.
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</P>
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<DD>The pair_style does not have a single() function, so it cannot be
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invokded by the compute group/group command.
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<DT><I>Pair style does not support compute heat/flux</I>
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<DD>The pair style does not have a single() function, so it can
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not be invoked by compute heat/flux.
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<DT><I>Pair style does not support fix bond/swap</I>
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<P>The pair_style does not have a single() function, so it cannot be
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invokded by the fix bond/swap command.
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</P>
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<DD>The pair style does not have a single() function, so it can
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not be invoked by fix bond/swap.
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<DT><I>Pair style does not support pair_write</I>
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<DD>The pair style does not have a single() function, so it cannot be
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invoked by the pair_write command.
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<DD>The pair style does not have a single() function, so it can
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not be invoked by pair write.
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<DT><I>Pair style does not support rRESPA inner/middle/outer</I>
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@ -3619,6 +3662,10 @@ needed entry.
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<DD>The compute ID needed to compute pressure for the fix does not
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exist.
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<DT><I>Pressure ID for fix modify does not exist</I>
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<DD>Self-explanatory.
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<DT><I>Pressure ID for fix nph does not exist</I>
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<DD>The compute ID needed to compute pressure for the fix does not
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@ -3639,10 +3686,6 @@ exist.
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<DD>The compute ID needed to compute pressure for thermodynamics does not
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exist.
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<DT><I>Pressure ID for fix modify does not exist</I>
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<DD>Self-explanatory.
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<DT><I>Proc grid in z != 1 for 2d simulation</I>
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<DD>There cannot be more than 1 processor in the z dimension of a 2d
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@ -3845,29 +3888,30 @@ fix group.
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<DD>Self-explanatory.
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<DT><I>Temp ID for fix bond/swap does not exist</I>
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<DT><I>Temper command before simulation box is defined</I>
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<DD>The temper command cannot be used before a read_data, read_restart, or
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create_box command.
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<DT><I>Temperature ID for fix bond/swap does not exist</I>
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<DD>Self-explanatory.
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<DT><I>Temperature ID for fix box/relax does not exist</I>
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<DD>The compute ID needed to compute temperature for the fix does not
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exist.
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<DD>Self-explanatory.
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<DT><I>Temperature ID for fix nph does not exist</I>
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<DD>The compute ID needed to compute temperature for the fix does not
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exist.
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<DD>Self-explanatory.
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<DT><I>Temperature ID for fix npt does not exist</I>
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<DD>The compute ID needed to compute temperature for the fix does not
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exist.
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<DD>Self-explanatory.
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<DT><I>Temperature ID for fix nvt does not exist</I>
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<DD>The compute ID needed to compute temperature for the fix does not
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exist.
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<DD>Self-explanatory.
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<DT><I>Temperature ID for fix press/berendsen does not exist</I>
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@ -3879,13 +3923,7 @@ exist.
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<DT><I>Temperature ID for fix temp/rescale does not exist</I>
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<DD>The compute ID needed to compute temperature for the fix does not
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exist.
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<DT><I>Temper command before simulation box is defined</I>
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<DD>The temper command cannot be used before a read_data, read_restart, or
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create_box command.
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<DD>Self-explanatory.
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<DT><I>Temperature for fix nvt/sllod does not have a bias</I>
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@ -3976,11 +4014,11 @@ is not computing this quantity.
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<DD>Cannot use thermo_modify to set this parameter since the thermo_style
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is not computing this quantity.
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<DT><I>Thermo_modify press ID does not compute pressure</I>
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<DT><I>Thermo_modify pressure ID does not compute pressure</I>
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<DD>The specified compute ID does not compute pressure.
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<DT><I>Thermo_modify temp ID does not compute temperature</I>
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<DT><I>Thermo_modify temperature ID does not compute temperature</I>
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<DD>The specified compute ID does not compute temperature.
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@ -4202,7 +4240,7 @@ or create_box command.
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<DD>Self-explanatory.
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<DT><I>Velocity temp ID does not compute temperature</I>
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<DT><I>Velocity temperature ID does not compute temperature</I>
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<DD>The compute ID given to the velocity command must compute
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temperature.
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@ -4238,6 +4276,18 @@ read_restart, or create_box command.
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<DD>See the doc page for fix bond/break for more info on this
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restriction.
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<DT><I>Compute cna/atom cutoff may be too large to find ghost atom neighbors</I>
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<DD>The neighbor cutoff used may not encompass enough ghost atoms
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to perform this operation correctly.
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<DT><I>Computing temperature of portions of rigid bodies</I>
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<DD>The group defined by the temperature compute does not encompass all
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the atoms in one or more rigid bodies, so the change in
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degrees-of-freedom for the atoms in those partial rigid bodies will
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not be accounted for.
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<DT><I>Created bonds will not create angles, dihedrals, or impropers</I>
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<DD>See the doc page for fix bond/create for more info on this
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@ -4433,24 +4483,19 @@ you ran on the same # of processors.
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<DT><I>Restart file used different boundary settings, using restart file values</I>
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<P>Your input script cannot change these settings in the restart file.
|
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</P>
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<DD>Your input script cannot change these restart file settings.
|
||||
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<DT><I>Restart file used different newton bond setting, using restart file value</I>
|
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<P>Your input script cannot change this setting in the restart file.
|
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</P>
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<DD>The restart file value will override the setting in the input script.
|
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<DT><I>Restart file used different newton pair setting, using input script value</I>
|
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|
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<P>Your input script can change this setting in the restart file, but you
|
||||
may not wish to do so.
|
||||
</P>
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<DD>The input script value will override the setting in the restart file.
|
||||
|
||||
<DT><I>Restart file version does not match LAMMPS version</I>
|
||||
|
||||
<DD>The version of LAMMPS that wrote the restart file does not match the
|
||||
version of LAMMPS that is reading the restart file. Generally this
|
||||
shouldn't be a problem, since restart file formats won't change very
|
||||
often if at all. But if they do, the code will probably crash trying
|
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to read the file. Versions of LAMMPS are specified by a date.
|
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<DD>This may cause problems when reading the restart file.
|
||||
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||||
<DT><I>Shake determinant < 0.0</I>
|
||||
|
||||
|
|
@ -4482,6 +4527,11 @@ all atoms. Since NPT computes a global pressure, the kinetic energy
|
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contribution from the temperature is assumed to also be for all atoms.
|
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Thus the pressure used by NPT could be inaccurate.
|
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|
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<DT><I>Temperature for fix modify is not for group all</I>
|
||||
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<DD>The temperature compute is being used with a pressure calculation
|
||||
which does operate on group all, so this may be inconsistent.
|
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|
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<DT><I>Temperature for thermo pressure is not for group all</I>
|
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|
||||
<DD>User-assigned temperature to thermo via the thermo_modify command does
|
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|
|
@ -4490,10 +4540,20 @@ pressure, the kinetic energy contribution from the temperature is
|
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assumed to also be for all atoms. Thus the pressure printed by thermo
|
||||
could be inaccurate.
|
||||
|
||||
<DT><I>Too many common neighbors in CNA %d times</I>
|
||||
|
||||
<DD>More than the maximum # of neighbors was found multiple times. This
|
||||
was unexpected.
|
||||
|
||||
<DT><I>Too many inner timesteps in fix ttm</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Too many neighbors in CNA for %d atoms</I>
|
||||
|
||||
<DD>More than the maximum # of neighbors was found multiple times. This
|
||||
was unexpected.
|
||||
|
||||
<DT><I>Use special bonds = 0,1,1 with bond style fene/expand</I>
|
||||
|
||||
<DD>Most FENE models need this setting for the special_bonds command.
|
||||
|
|
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|||
|
|
@ -997,15 +997,9 @@ triclinic. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute erotate/asphere requires extended particles} :dt
|
||||
{Compute ID for compute heat/flux does not exist} :dt
|
||||
|
||||
This quantity can only be calculated for particles with a shape
|
||||
setting. :dd
|
||||
|
||||
{Compute temp/asphere requires extended particles} :dt
|
||||
|
||||
This quantity can only be calculated for particles with a shape
|
||||
setting. :dd
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute ID for compute reduce does not exist} :dt
|
||||
|
||||
|
|
@ -1054,6 +1048,11 @@ Self-explantory. :dd
|
|||
Damage is a Peridynamic-specific metric. It requires you
|
||||
to be running a Peridynamics simulation. :dd
|
||||
|
||||
{Compute does not allow an extra compute to be reset} :dt
|
||||
|
||||
This is an internal LAMMPS error. Please report it to the
|
||||
developers. :dd
|
||||
|
||||
{Compute erotate/asphere cannot be used with atom attributes diameter or rmass} :dt
|
||||
|
||||
These attributes override the shape and mass settings, so cannot be
|
||||
|
|
@ -1063,6 +1062,10 @@ used. :dd
|
|||
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Compute erotate/asphere requires extended particles} :dt
|
||||
|
||||
This compute cannot be used with point paritlces. :dd
|
||||
|
||||
{Compute erotate/sphere requires atom attribute omega} :dt
|
||||
|
||||
An atom style that defines this attribute must be used. :dd
|
||||
|
|
@ -1079,6 +1082,14 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute heat/flux compute ID does not compute pe/atom} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute heat/flux requires ghost atoms store velocity} :dt
|
||||
|
||||
An atom style that stores this, like atom_style dpd, must be used. :dd
|
||||
|
||||
{Compute pe must use group all} :dt
|
||||
|
||||
Energies computed by potentials (pair, bond, etc) are computed on all
|
||||
|
|
@ -1089,7 +1100,7 @@ atoms. :dd
|
|||
Virial contributions computed by potentials (pair, bond, etc) are
|
||||
computed on all atoms. :dd
|
||||
|
||||
{Compute pressure temp ID does not compute temperature} :dt
|
||||
{Compute pressure temperature ID does not compute temperature} :dt
|
||||
|
||||
The compute ID assigned to a pressure computation must compute
|
||||
temperature. :dd
|
||||
|
|
@ -1135,11 +1146,11 @@ used. :dd
|
|||
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Compute temp/partial cannot use vz for 2d systems} :dt
|
||||
{Compute temp/asphere requires extended particles} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
This compute cannot be used with point paritlces. :dd
|
||||
|
||||
{Compute temp/profile cannot use vz for 2d systems} :dt
|
||||
{Compute temp/partial cannot use vz for 2d systemx} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
|
|
@ -1147,6 +1158,10 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute temp/profile cannot use vz for 2d systemx} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute temp/sphere requires atom attribute omega} :dt
|
||||
|
||||
An atom style that defines this attribute must be used. :dd
|
||||
|
|
@ -1219,7 +1234,11 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Could not find compute pressure temp ID} :dt
|
||||
{Could not find compute heat/flux compute ID} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Could not find compute pressure temperature ID} :dt
|
||||
|
||||
The compute ID for calculating temperature does not exist. :dd
|
||||
|
||||
|
|
@ -1227,10 +1246,6 @@ The compute ID for calculating temperature does not exist. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Could not find group delete 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
|
||||
|
|
@ -1292,10 +1307,14 @@ A fix ID used in the fix_modify command does not exist. :dd
|
|||
|
||||
The compute ID for computing pressure does not exist. :dd
|
||||
|
||||
{Could not find fix_modify temp ID} :dt
|
||||
{Could not find fix_modify temperature ID} :dt
|
||||
|
||||
The compute ID for computing temperature does not exist. :dd
|
||||
|
||||
{Could not find group delete group ID} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Could not find set group ID} :dt
|
||||
|
||||
Group ID specified in set command does not exist. :dd
|
||||
|
|
@ -1322,12 +1341,12 @@ Self-explanatory. :dd
|
|||
|
||||
Fix ID specified in thermo_style command does not exist. :dd
|
||||
|
||||
{Could not find thermo_modify press ID} :dt
|
||||
{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 temp ID} :dt
|
||||
{Could not find thermo_modify temperature ID} :dt
|
||||
|
||||
The compute ID needed by thermo style custom to compute temperature does
|
||||
not exist. :dd
|
||||
|
|
@ -1340,7 +1359,7 @@ A dump ID used in the undump command does not exist. :dd
|
|||
|
||||
A group ID used in the velocity command does not exist. :dd
|
||||
|
||||
{Could not find velocity temp ID} :dt
|
||||
{Could not find velocity temperature ID} :dt
|
||||
|
||||
The compute ID needed by the velocity command to compute temperature
|
||||
does not exist. :dd
|
||||
|
|
@ -1997,6 +2016,11 @@ Self-explanatory. :dd
|
|||
Cannot use the rdf fix unless a pair style with a cutoff has been
|
||||
defined. :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
|
||||
|
|
@ -2057,10 +2081,6 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Invalid random number seed in fix ttm command} :dt
|
||||
|
||||
Random number seed must be > 0. :dd
|
||||
|
||||
{Fix ttm v_0 must be >= 0.0} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
|
@ -2095,7 +2115,7 @@ The atom style defined does not have these attributes. :dd
|
|||
|
||||
The compute ID assigned to the fix must compute pressure. :dd
|
||||
|
||||
{Fix_modify temp ID does not compute temperature} :dt
|
||||
{Fix_modify temperature ID does not compute temperature} :dt
|
||||
|
||||
The compute ID assigned to the fix must compute temperature. :dd
|
||||
|
||||
|
|
@ -2337,6 +2357,11 @@ Eigensolve for rigid body was not sufficiently accurate. :dd
|
|||
|
||||
Eigensolve for rigid body was not sufficiently accurate. :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 angle style} :dt
|
||||
|
||||
The choice of angle style is unknown. :dd
|
||||
|
|
@ -2542,6 +2567,10 @@ Atom style does not allow impropers. :dd
|
|||
|
||||
Atom style does not allow dihedrals. :dd
|
||||
|
||||
{Invalid density in Atoms section of data file} :dt
|
||||
|
||||
Density value cannot be <= 0.0. :dd
|
||||
|
||||
{Invalid dihedral style} :dt
|
||||
|
||||
The choice of dihedral style is unknown. :dd
|
||||
|
|
@ -2590,6 +2619,11 @@ Operator keyword used for threshold specification in not recognized. :dd
|
|||
|
||||
The fix is not recognized. :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 nph command for a 2d simulation} :dt
|
||||
|
||||
Cannot use style xy, yz, or xz for a 2d simulation. :dd
|
||||
|
|
@ -2735,6 +2769,10 @@ Length of read-in pair table is invalid :dd
|
|||
|
||||
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
|
||||
|
|
@ -3451,17 +3489,22 @@ 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
|
||||
invokded by the compute group/group command.
|
||||
invokded by the compute group/group command. :dd
|
||||
|
||||
{Pair style does not support compute heat/flux} :dt
|
||||
|
||||
The pair style does not have a single() function, so it can
|
||||
not be invoked by compute heat/flux. :dd
|
||||
|
||||
{Pair style does not support fix bond/swap} :dt
|
||||
|
||||
The pair_style does not have a single() function, so it cannot be
|
||||
invokded by the fix bond/swap command.
|
||||
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 cannot be
|
||||
invoked by the pair_write command. :dd
|
||||
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
|
||||
|
||||
|
|
@ -3616,6 +3659,10 @@ Self-explanatory. :dd
|
|||
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 nph does not exist} :dt
|
||||
|
||||
The compute ID needed to compute pressure for the fix does not
|
||||
|
|
@ -3636,10 +3683,6 @@ exist. :dd
|
|||
The compute ID needed to compute pressure for thermodynamics does not
|
||||
exist. :dd
|
||||
|
||||
{Pressure ID for fix modify does not exist} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Proc grid in z != 1 for 2d simulation} :dt
|
||||
|
||||
There cannot be more than 1 processor in the z dimension of a 2d
|
||||
|
|
@ -3842,29 +3885,30 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Temp ID for fix bond/swap does not exist} :dt
|
||||
{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
|
||||
|
||||
The compute ID needed to compute temperature for the fix does not
|
||||
exist. :dd
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Temperature ID for fix nph does not exist} :dt
|
||||
|
||||
The compute ID needed to compute temperature for the fix does not
|
||||
exist. :dd
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Temperature ID for fix npt does not exist} :dt
|
||||
|
||||
The compute ID needed to compute temperature for the fix does not
|
||||
exist. :dd
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Temperature ID for fix nvt does not exist} :dt
|
||||
|
||||
The compute ID needed to compute temperature for the fix does not
|
||||
exist. :dd
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Temperature ID for fix press/berendsen does not exist} :dt
|
||||
|
||||
|
|
@ -3876,13 +3920,7 @@ Self-explanatory. :dd
|
|||
|
||||
{Temperature ID for fix temp/rescale does not exist} :dt
|
||||
|
||||
The compute ID needed to compute temperature for the fix does not
|
||||
exist. :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
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Temperature for fix nvt/sllod does not have a bias} :dt
|
||||
|
||||
|
|
@ -3973,11 +4011,11 @@ is not computing this quantity. :dd
|
|||
Cannot use thermo_modify to set this parameter since the thermo_style
|
||||
is not computing this quantity. :dd
|
||||
|
||||
{Thermo_modify press ID does not compute pressure} :dt
|
||||
{Thermo_modify pressure ID does not compute pressure} :dt
|
||||
|
||||
The specified compute ID does not compute pressure. :dd
|
||||
|
||||
{Thermo_modify temp ID does not compute temperature} :dt
|
||||
{Thermo_modify temperature ID does not compute temperature} :dt
|
||||
|
||||
The specified compute ID does not compute temperature. :dd
|
||||
|
||||
|
|
@ -4199,7 +4237,7 @@ A velocity command has been used, but no atoms yet exist. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Velocity temp ID does not compute temperature} :dt
|
||||
{Velocity temperature ID does not compute temperature} :dt
|
||||
|
||||
The compute ID given to the velocity command must compute
|
||||
temperature. :dd
|
||||
|
|
@ -4235,6 +4273,18 @@ Warnings: :h4,link(warn)
|
|||
See the doc page for fix bond/break for more info on this
|
||||
restriction. :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
|
||||
|
||||
{Created bonds will not create angles, dihedrals, or impropers} :dt
|
||||
|
||||
See the doc page for fix bond/create for more info on this
|
||||
|
|
@ -4430,24 +4480,19 @@ 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 settings in the restart file.
|
||||
Your input script cannot change these restart file settings. :dd
|
||||
|
||||
{Restart file used different newton bond setting, using restart file value} :dt
|
||||
|
||||
Your input script cannot change this setting in the restart file.
|
||||
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
|
||||
|
||||
Your input script can change this setting in the restart file, but you
|
||||
may not wish to do so.
|
||||
The input script value will override the setting in the restart file. :dd
|
||||
|
||||
{Restart file version does not match LAMMPS version} :dt
|
||||
|
||||
The version of LAMMPS that wrote the restart file does not match the
|
||||
version of LAMMPS that is reading the restart file. Generally this
|
||||
shouldn't be a problem, since restart file formats won't change very
|
||||
often if at all. But if they do, the code will probably crash trying
|
||||
to read the file. Versions of LAMMPS are specified by a date. :dd
|
||||
This may cause problems when reading the restart file. :dd
|
||||
|
||||
{Shake determinant < 0.0} :dt
|
||||
|
||||
|
|
@ -4479,6 +4524,11 @@ 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
|
||||
|
|
@ -4487,10 +4537,20 @@ 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
|
||||
|
||||
{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
|
||||
|
||||
{Use special bonds = 0,1,1 with bond style fene/expand} :dt
|
||||
|
||||
Most FENE models need this setting for the special_bonds command. :dd
|
||||
|
|
|
|||
|
|
@ -192,11 +192,12 @@ commands)
|
|||
<LI> rRESPA hierarchical timestepping
|
||||
<LI> parallel tempering (replica exchange)
|
||||
</UL>
|
||||
<P>Diagnostics: h4
|
||||
(<A HREF = "fix.html">fix</A> command, <A HREF = "compute.html">compute</A> command)
|
||||
</P>
|
||||
<P> see the various flavors of the fix and compute commands
|
||||
<H4>Diagnostics
|
||||
</H4>
|
||||
<P>(<A HREF = "fix.html">fix</A> command, <A HREF = "compute.html">compute</A> command)
|
||||
</P>
|
||||
<UL><LI> see the various flavors of the fix and compute commands
|
||||
</UL>
|
||||
<H4>Output
|
||||
</H4>
|
||||
<P>(<A HREF = "dump.html">dump</A>, <A HREF = "restart.html">restart</A> commands)
|
||||
|
|
|
|||
|
|
@ -191,10 +191,10 @@ Integrators :h4
|
|||
rRESPA hierarchical timestepping
|
||||
parallel tempering (replica exchange) :ul
|
||||
|
||||
Diagnostics: h4
|
||||
Diagnostics :h4
|
||||
("fix"_fix.html command, "compute"_compute.html command)
|
||||
|
||||
see the various flavors of the fix and compute commands
|
||||
see the various flavors of the fix and compute commands :ul
|
||||
|
||||
Output :h4
|
||||
("dump"_dump.html, "restart"_restart.html commands)
|
||||
|
|
|
|||
Loading…
Reference in New Issue