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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10196 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-06-29 21:20:42 +00:00
parent 5761414444
commit d694b0dee0
26 changed files with 150 additions and 78 deletions
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10
src/change_box.h
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@ -93,11 +93,6 @@ E: Cannot change_box in xz or yz for 2d simulation
Self-explanatory.
E: Use of change_box with undefined lattice
Must use lattice command with displace_box command if units option is
set to lattice.
E: Cannot change box tilt factors for orthogonal box
Cannot use tilt factors unless the simulation box is non-orthogonal.
@ -126,4 +121,9 @@ W: Lost atoms via change_box: original %ld current %ld
The command options you have used caused atoms to be lost.
U: Use of change_box with undefined lattice
Must use lattice command with displace_box command if units option is
set to lattice.
*/

2
src/compute_temp_ramp.h
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@ -63,7 +63,7 @@ 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.
E: Use of compute temp/ramp with undefined lattice
U: Use of compute temp/ramp with undefined lattice
Must use lattice command with compute temp/ramp command if units
option is set to lattice.

4
src/create_atoms.h
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@ -76,6 +76,10 @@ E: Create_atoms region ID does not exist
A region ID used in the create_atoms command does not exist.
E: Invalid basis setting in create_atoms command
UNDOCUMENTED
E: Cannot create atoms with undefined lattice
Must use the lattice command before using the create_atoms

10
src/displace_atoms.h
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@ -62,11 +62,6 @@ E: Could not find displace_atoms group ID
Group ID used in the displace_atoms command does not exist.
E: Use of displace_atoms with undefined lattice
Must use lattice command with displace_atoms command if units option
is set to lattice.
E: Invalid displace_atoms rotate axis for 2d
Axis must be in z direction.
@ -79,4 +74,9 @@ W: Lost atoms via displace_atoms: original %ld current %ld
The command options you have used caused atoms to be lost.
U: Use of displace_atoms with undefined lattice
Must use lattice command with displace_atoms command if units option
is set to lattice.
*/

12
src/dump.h
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@ -126,6 +126,10 @@ class Dump : protected Pointers {
/* ERROR/WARNING messages:
E: Cannot dump sort when multiple procs write the dump file
UNDOCUMENTED
E: Cannot dump sort on atom IDs with no atom IDs defined
Self-explanatory.
@ -159,4 +163,12 @@ 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.
E: Cannot use dump_modify fileper without % in dump file name
UNDOCUMENTED
E: Cannot use dump_modify nfile without % in dump file name
UNDOCUMENTED
*/

8
src/fix_ave_spatial.h
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@ -160,10 +160,6 @@ E: Fix ave/spatial for triclinic boxes requires units reduced
Self-explanatory.
E: Use of fix ave/spatial with undefined lattice
A lattice must be defined to use fix ave/spatial with units = lattice.
E: Fix ave/spatial settings invalid with changing box
If the ave setting is "running" or "window" and the box size/shape
@ -180,4 +176,8 @@ E: Fix ave/spatial missed timestep
You cannot reset the timestep to a value beyond where the fix
expects to next perform averaging.
U: Use of fix ave/spatial with undefined lattice
A lattice must be defined to use fix ave/spatial with units = lattice.
*/

8
src/fix_deform.h
View File

@ -96,10 +96,6 @@ E: Cannot use fix deform tilt on a shrink-wrapped 2nd dim
This is because the shrink-wrapping will change the value
of the strain implied by the tilt factor.
E: Use of fix deform with undefined lattice
A lattice must be defined to use fix deform with units = lattice.
E: Fix deform volume setting is invalid
Cannot use volume style unless other dimensions are being controlled.
@ -136,4 +132,8 @@ 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.
U: Use of fix deform with undefined lattice
A lattice must be defined to use fix deform with units = lattice.
*/

10
src/fix_deposit.h
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@ -80,11 +80,6 @@ E: Deposition region extends outside simulation box
Self-explanatory.
E: Use of fix deposit with undefined lattice
Must use lattice command with compute fix deposit command if units
option is set to lattice.
E: Region ID for fix deposit does not exist
Self-explanatory.
@ -95,4 +90,9 @@ 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.
U: Use of fix deposit with undefined lattice
Must use lattice command with compute fix deposit command if units
option is set to lattice.
*/

10
src/fix_dt_reset.h
View File

@ -57,14 +57,14 @@ 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.
E: Use of fix dt/reset with undefined lattice
Must use lattice command with fix dt/reset command if units option is
set to lattice.
W: Dump dcd/xtc timestamp may be wrong with fix dt/reset
If the fix changes the timestep, the dump dcd file will not
reflect the change.
U: Use of fix dt/reset with undefined lattice
Must use lattice command with fix dt/reset command if units option is
set to lattice.
*/

10
src/fix_indent.h
View File

@ -65,11 +65,6 @@ 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.
E: Use of fix indent with undefined lattice
The lattice command must be used to define a lattice before using the
fix indent command.
E: Variable name for fix indent does not exist
Self-explanatory.
@ -82,4 +77,9 @@ E: Variable for fix indent is not equal style
Only equal-style variables can be used.
U: Use of fix indent with undefined lattice
The lattice command must be used to define a lattice before using the
fix indent command.
*/

8
src/fix_langevin.h
View File

@ -126,15 +126,15 @@ E: Fix langevin angmom requires extended particles
This fix option cannot be used with point paritlces.
E: Fix langevin variable returned negative temperature
Self-explanatory.
E: Cannot zero Langevin force of 0 atoms
The group has zero atoms, so you cannot request its force
be zeroed.
E: Fix langevin variable returned negative temperature
Self-explanatory.
E: Could not find fix_modify temperature ID
The compute ID for computing temperature does not exist.

10
src/fix_move.h
View File

@ -107,11 +107,6 @@ W: Fix move does not update quaternions
Atoms store this quantity, but fix move does not (yet) update it.
E: Use of fix move with undefined lattice
Must use lattice command with fix move command if units option is
set to lattice.
E: Zero length rotation vector with fix move
Self-explanatory.
@ -132,4 +127,9 @@ E: Resetting timestep is not allowed with fix move
This is because fix move is moving atoms based on elapsed time.
U: Use of fix move with undefined lattice
Must use lattice command with fix move command if units option is
set to lattice.
*/

10
src/fix_recenter.h
View File

@ -55,11 +55,6 @@ E: Could not find fix recenter group ID
A group ID used in the fix recenter command does not exist.
E: Use of fix recenter with undefined lattice
Must use lattice command with fix recenter command if units option is
set to lattice.
E: Fix recenter group has no atoms
Self-explanatory.
@ -69,4 +64,9 @@ W: Fix recenter should come after all other integration fixes
Other fixes may change the position of the center-of-mass, so
fix recenter should come last.
U: Use of fix recenter with undefined lattice
Must use lattice command with fix recenter command if units option is
set to lattice.
*/

8
src/fix_store.h
View File

@ -52,3 +52,11 @@ class FixStore : public Fix {
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
UNDOCUMENTED
*/

10
src/fix_wall.h
View File

@ -86,11 +86,6 @@ E: Cannot use fix wall in periodic dimension
Self-explanatory.
E: Use of fix wall with undefined lattice
Must use lattice command with fix wall command if units option is set
to lattice.
E: Variable name for fix wall does not exist
Self-explanatory.
@ -103,4 +98,9 @@ E: Variable evaluation in fix wall gave bad value
The returned value for epsilon or sigma < 0.0.
U: Use of fix wall with undefined lattice
Must use lattice command with fix wall command if units option is set
to lattice.
*/

10
src/fix_wall_reflect.h
View File

@ -67,11 +67,6 @@ E: Cannot use fix wall/reflect zlo/zhi for a 2d simulation
Self-explanatory.
E: Use of fix wall with undefined lattice
Must use lattice command with fix wall command if units option is set
to lattice.
E: Variable name for fix wall/reflect does not exist
Self-explanatory.
@ -84,4 +79,9 @@ W: Should not allow rigid bodies to bounce off relecting walls
LAMMPS allows this, but their dynamics are not computed correctly.
U: Use of fix wall with undefined lattice
Must use lattice command with fix wall command if units option is set
to lattice.
*/

4
src/force.h
View File

@ -142,11 +142,11 @@ 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.
E: Expected floating point parameter in input script or data file
U: Expected floating point parameter in input script or data file
The quantity being read is an integer on non-numeric value.
E: Expected integer parameter in input script or data file
U: Expected integer parameter in input script or data file
The quantity being read is a floating point or non-numeric value.

14
src/input.h
View File

@ -135,10 +135,9 @@ E: Unknown command: %s
The command is not known to LAMMPS. Check the input script.
E: Another input script is already being processed
E: Invalid use of library file() function
Cannot attempt to open a 2nd input script, when the original file is
still being processed.
UNDOCUMENTED
E: Cannot open input script %s
@ -172,6 +171,10 @@ 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.
E: Cannot use include command within an if command
UNDOCUMENTED
E: Cannot open logfile %s
The LAMMPS log file specified in the input script cannot be opened.
@ -330,4 +333,9 @@ E: Units command after simulation box is defined
The units command cannot be used after a read_data, read_restart, or
create_box command.
U: Another input script is already being processed
Cannot attempt to open a 2nd input script, when the original file is
still being processed.
*/

4
src/kspace.h
View File

@ -168,6 +168,10 @@ class KSpace : protected Pointers {
/* ERROR/WARNING messages:
E: KSpace style does not yet support triclinic geometries
UNDOCUMENTED
E: KSpace solver requires a pair style
No pair style is defined.

8
src/pair.h
View File

@ -247,11 +247,19 @@ This is probably a bogus thing to do, since tail corrections are
computed by integrating the density of a periodic system out to
infinity.
W: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions
UNDOCUMENTED
E: All pair coeffs are not set
All pair coefficients must be set in the data file or by the
pair_coeff command before running a simulation.
E: Pair style requres a KSpace style
UNDOCUMENTED
E: Pair style does not support pair_write
The pair style does not have a single() function, so it can

4
src/read_data.h
View File

@ -184,6 +184,10 @@ E: Must define pair_style before Pair Coeffs
Must use a pair_style command before reading a data file that defines
Pair Coeffs.
E: Must define pair_style before PairIJ Coeffs
UNDOCUMENTED
E: Invalid data file section: Bond Coeffs
Atom style does not allow bonds.

10
src/region.h
View File

@ -103,13 +103,13 @@ E: Region union or intersect cannot be dynamic
The sub-regions can be dynamic, but not the combined region.
E: Use of region with undefined lattice
If units = lattice (the default) for the region command, then a
lattice must first be defined via the lattice command.
E: Region cannot have 0 length rotation vector
Self-explanatory.
U: Use of region with undefined lattice
If units = lattice (the default) for the region command, then a
lattice must first be defined via the lattice command.
*/

10
src/thermo.h
View File

@ -278,10 +278,6 @@ E: Thermo_modify int format does not contain d character
Self-explanatory.
E: Thermo keyword requires lattice be defined
The xlat, ylat, zlat keywords refer to lattice properties.
E: Could not find thermo custom compute ID
The compute ID needed by thermo style custom to compute a requested
@ -386,7 +382,11 @@ 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.
E: Thermo keyword in variable requires lattice be defined
U: Thermo keyword requires lattice be defined
The xlat, ylat, zlat keywords refer to lattice properties.
U: Thermo keyword in variable requires lattice be defined
The xlat, ylat, zlat keywords refer to lattice properties.

4
src/variable.h
View File

@ -141,6 +141,10 @@ E: File variable could not read value
Check the file assigned to the variable.
E: Afile variable could not read values
UNDOCUMENTED
E: Variable name must be alphanumeric or underscore characters
Self-explanatory.

10
src/velocity.h
View File

@ -93,11 +93,6 @@ E: Atom IDs must be consecutive for velocity create loop all
Self-explanatory.
E: Use of velocity with undefined lattice
If units = lattice (the default) for the velocity set or velocity ramp
command, then a lattice must first be defined via the lattice command.
E: Variable name for velocity set does not exist
Self-explanatory.
@ -137,4 +132,9 @@ E: Velocity temperature ID does not compute temperature
The compute ID given to the velocity command must compute
temperature.
U: Use of velocity with undefined lattice
If units = lattice (the default) for the velocity set or velocity ramp
command, then a lattice must first be defined via the lattice command.
*/

20
src/write_data.h
View File

@ -53,3 +53,23 @@ class WriteData : protected Pointers {
#endif
#endif
/* ERROR/WARNING messages:
E: Write_data command before simulation box is defined
UNDOCUMENTED
E: Illegal ... command
UNDOCUMENTED
E: Atom count is inconsistent, cannot write data file
UNDOCUMENTED
E: Cannot open data file %s
UNDOCUMENTED
*/