git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8438 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/atom.h

@@ -260,11 +260,6 @@ E: Atom_modify sort and first options cannot be used together
 
 Self-explanatory.
 
-E: Cannot create an atom map unless atoms have IDs
-
-The simulation requires a mapping from global atom IDs to local atoms,
-but the atoms that have been defined have no IDs.
-
 E: Incorrect atom format in data file
 
 Number of values per atom line in the data file is not consistent with

src/balance.h

@@ -91,6 +91,10 @@ 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 open balance output file
+
+Self-explanatory.
+
 E: Cannot balance in z dimension for 2d simulation
 
 Self-explanatory.
@@ -99,17 +103,14 @@ E: Balance dynamic string is invalid
 
 The string can only contain the characters "x", "y", or "z".
 
-E: Balance dynamic string is invalid for 2d simulation
-
-The string cannot contain the letter "z".
-
 E: Lost atoms via balance: original %ld current %ld
 
 This should not occur.  Report the problem to the developers.
 
-E: Cannot open balance output file
+E: Balance produced bad splits
 
-This error message can only occur if debug options
+This should not occur.  It means two or more cutting plane locations
-are uncommented in src/balance.cpp.
+are on top of each other or out of order.  Report the problem to the
+developers.
 
 */

src/compute_group_group.h

@@ -74,4 +74,16 @@ E: Pair style does not support compute group/group
 The pair_style does not have a single() function, so it cannot be
 invokded by the compute group/group command.
 
+E: No Kspace style defined for compute group/group
+
+Self-explanatory.
+
+E: Kspace style does not support compute group/group
+
+Self-explanatory.
+
+W: Both groups in compute group/group have a net charge; the Kspace boundary correction to energy will be non-zero
+
+Self-explantory.
+
 */

src/create_atoms.h

@@ -85,4 +85,8 @@ E: Too many total atoms
 
 See the setting for bigint in the src/lmptype.h file.
 
+E: No overlap of box and region for create_atoms
+
+Self-explanatory.
+
 */

src/domain.h

@@ -162,6 +162,21 @@ E: Illegal simulation box
 
 The lower bound of the simulation box is greater than the upper bound.
 
+E: Bond atom missing in box size check
+
+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.
+
+E: Bond/angle/dihedral extent > half of periodic box length
+
+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.
+
 E: Illegal ... command
 
 Self-explanatory.  Check the input script syntax and compare to the

src/fix_ave_atom.h

@@ -118,4 +118,9 @@ E: Fix ave/atom variable is not atom-style variable
 
 A variable used by fix ave/atom must generate per-atom values.
 
+E: Fix ave/atom missed timestep
+
+You cannot reset the timestep to a value beyond where the fix
+expects to next perform averaging.
+
 */

src/fix_ave_correlate.h

@@ -127,4 +127,9 @@ E: Fix ave/correlate variable is not equal-style variable
 
 Self-explanatory.
 
+E: Fix ave/correlate missed timestep
+
+You cannot reset the timestep to a value beyond where the fix
+expects to next perform averaging.
+
 */

src/fix_ave_histo.h

@@ -219,4 +219,9 @@ E: Cannot open fix ave/histo file %s
 The specified file cannot be opened.  Check that the path and name are
 correct.
 
+E: Fix ave/histo missed timestep
+
+You cannot reset the timestep to a value beyond where the fix
+expects to next perform averaging.
+
 */

src/fix_ave_spatial.h

@@ -175,4 +175,9 @@ E: Fix for fix ave/spatial not computed at compatible time
 Fixes generate their values on specific timesteps.  Fix ave/spatial is
 requesting a value on a non-allowed timestep.
 
+E: Fix ave/spatial missed timestep
+
+You cannot reset the timestep to a value beyond where the fix
+expects to next perform averaging.
+
 */

src/fix_ave_time.h

@@ -166,4 +166,9 @@ E: Cannot open fix ave/time file %s
 The specified file cannot be opened.  Check that the path and name are
 correct.
 
+E: Fix ave/time missed timestep
+
+You cannot reset the timestep to a value beyond where the fix
+expects to next perform averaging.
+
 */

src/fix_balance.h

@@ -80,4 +80,12 @@ E: Fix balance string is invalid for 2d simulation
 
 The string cannot contain the letter "z".
 
+E: Cannot open fix balance output file
+
+Self-explanatory.
+
+E: Cannot yet use fix balance with PPPM
+
+This is a current limitation of LAMMPS.
+
 */

src/fix_gravity.h

@@ -70,4 +70,12 @@ 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: Variable name for fix gravity does not exist
+
+Self-explanatory.
+
+E: Variable for fix gravity is invalid style
+
+Only equal-style variables can be used.
+
 */

src/fix_nh.h

@@ -154,6 +154,10 @@ E: Invalid fix nvt/npt/nph command for a 2d simulation
 
 Cannot control z dimension in a 2d model.
 
+E: Fix nvt/npt/nph dilate group ID does not exist
+
+Self-explanatory.
+
 E: Invalid fix nvt/npt/nph command pressure settings
 
 If multiple dimensions are coupled, those dimensions must be

src/fix_restrain.h

@@ -68,6 +68,18 @@ E: Fix restrain requires an atom map, see atom_modify
 
 Self-explanatory.
 
+E: Restrain atoms %d %d missing on proc %d at step %ld
+
+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.
+
+E: Restrain atoms %d %d %d missing on proc %d at step %ld
+
+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.
+
 E: Restrain atoms %d %d %d %d missing on proc %d at step %ld
 
 The 4 atoms in a restrain dihedral specified by the fix restrain

src/fix_rigid.h

@@ -185,6 +185,13 @@ NPT/NPH fix must be defined in input script after all rigid fixes,
 else the rigid fix contribution to the pressure virial is
 incorrect.
 
+W: Computing temperature of portions of rigid bodies
+
+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.
+
 E: Fix rigid atom has non-zero image flag in a non-periodic dimension
 
 You cannot set image flags for non-periodic dimensions.
@@ -198,11 +205,22 @@ E: Fix rigid: Bad principal moments
 The principal moments of inertia computed for a rigid body
 are not within the required tolerances.
 
-W: Computing temperature of portions of rigid bodies
+E: Cannot open fix rigid infile %s
 
-The group defined by the temperature compute does not encompass all
+The specified file cannot be opened.  Check that the path and name are
-the atoms in one or more rigid bodies, so the change in
+correct.
-degrees-of-freedom for the atoms in those partial rigid bodies will
+
-not be accounted for.
+E: Unexpected end of fix rigid file
+
+A read operation from the file failed.
+
+E: Incorrect rigid body format in fix rigid file
+
+The number of fields per line is not what expected.
+
+E: Invalid rigid body ID in fix rigid file
+
+The ID does not match the number or an existing ID of rigid bodies
+that are defined by the fix rigid command.
 
 */

src/fix_temp_berendsen.h

@@ -65,6 +65,14 @@ E: Fix temp/berendsen period must be > 0.0
 
 Self-explanatory.
 
+E: Variable name for fix temp/berendsen does not exist
+
+Self-explanatory.
+
+E: Variable for fix temp/berendsen is invalid style
+
+Only equal-style variables can be used.
+
 E: Temperature ID for fix temp/berendsen does not exist
 
 Self-explanatory.
@@ -73,6 +81,10 @@ E: Computed temperature for fix temp/berendsen cannot be 0.0
 
 Self-explanatory.
 
+E: Fix temp/berendsen variable returned negative temperature
+
+Self-explanatory.
+
 E: Could not find fix_modify temperature ID
 
 The compute ID for computing temperature does not exist.

src/fix_temp_rescale.h

@@ -61,6 +61,14 @@ 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: Variable name for fix temp/rescale does not exist
+
+Self-explanatory.
+
+E: Variable for fix temp/rescale is invalid style
+
+Only equal-style variables can be used.
+
 E: Temperature ID for fix temp/rescale does not exist
 
 Self-explanatory.
@@ -70,6 +78,10 @@ E: Computed temperature for fix temp/rescale cannot be 0.0
 Cannot rescale the temperature to a new value if the current
 temperature is 0.0.
 
+E: Fix temp/rescale variable returned negative temperature
+
+Self-explanatory.
+
 E: Could not find fix_modify temperature ID
 
 The compute ID for computing temperature does not exist.

src/modify.h

@@ -145,17 +145,17 @@ 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.
 
-E: Fix command before simulation box is defined
-
-The fix command cannot be used before a read_data, read_restart, or
-create_box command.
-
 E: Illegal ... command
 
 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: Fix command before simulation box is defined
+
+The fix command cannot be used before a read_data, read_restart, or
+create_box command.
+
 E: Could not find fix group ID
 
 A group ID used in the fix command does not exist.

src/neighbor.h

@@ -336,10 +336,6 @@ E: Neighbor multi not yet enabled for rRESPA
 
 Self-explanatory.
 
-E: Neighbors of ghost atoms only allowed for full neighbor lists
-
-This is a current restriction within LAMMPS.
-
 E: Too many local+ghost atoms for neighbor list
 
 The number of nlocal + nghost atoms on a processor

src/output.h

@@ -99,10 +99,22 @@ E: Variable for dump every is invalid style
 
 Only equal-style variables can be used.
 
+E: Variable name for restart does not exist
+
+Self-explanatory.
+
+E: Variable for restart is invalid style
+
+Only equal-style variables can be used.
+
 E: Dump every variable returned a bad timestep
 
 The variable must return a timestep greater than the current timestep.
 
+E: Restart variable returned a bad timestep
+
+The variable must return a timestep greater than the current timestep.
+
 E: Thermo every variable returned a bad timestep
 
 The variable must return a timestep greater than the current timestep.

src/read_data.cpp

@@ -112,7 +112,7 @@ void ReadData::command(int narg, char **arg)
                          "read_data:fix_section");
       fix_index[nfix] = modify->find_fix(arg[iarg+1]);
       if (fix_index[nfix] < 0)
-        error->all(FLERR,"Fix ID for Read_data does not exist");
+        error->all(FLERR,"Fix ID for read_data does not exist");
       int n = strlen(arg[iarg+2]) + 1;
       fix_header[nfix] = new char[n];
       strcpy(fix_header[nfix],arg[iarg+2]);

src/read_data.h

@@ -100,6 +100,10 @@ E: Cannot run 2d simulation with nonperiodic Z dimension
 Use the boundary command to make the z dimension periodic in order to
 run a 2d simulation.
 
+E: Fix ID for read_data does not exist
+
+Self-explanatory.
+
 E: Must read Atoms before Velocities
 
 The Atoms section of a data file must come before a Velocities

src/read_dump.h

@@ -91,3 +91,58 @@ private:
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+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: Dump file does not contain requested snapshot
+
+Self-explanatory.
+
+E: Invalid dump reader style
+
+Self-explanatory.
+
+E: No box information in dump. You have to use 'box no'
+
+Self-explanatory.
+
+E: Read_dump triclinic status does not match simulation
+
+Both the dump snapshot and the current LAMMPS simulation must
+be using either an orthogonal or triclinic box.
+
+E: Read_dump field not found in dump file
+
+Self-explanatory.
+
+E: Read_dump x,y,z fields do not have consistent scaling
+
+Self-explanatory.
+
+E: All read_dump x,y,z fields must be specified for scaled, triclinic coords
+
+For triclinic boxes and scaled coordinates you must specify all 3 of
+the x,y,z fields, else LAMMPS cannot reconstruct the unscaled
+coordinates.
+
+E: Too many total atoms
+
+Adding atoms from the dump snapshot has caused the LAMMPS simulation
+to exceed the allowed number of atoms.
+
+E: Duplicate fields in read_dump command
+
+Self-explanatory.
+
+E: If read_dump purges it cannot replace or trim
+
+These operations are not compatible.  See the read_dump doc
+page for details.
+
+*/

src/reader.h

@@ -44,3 +44,17 @@ class Reader : protected Pointers {
 }
 
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Cannot open gzipped file
+
+LAMMPS is attempting to open a gzipped version of the specified file
+but was unsuccessful.  Check that the path and name are correct.
+
+E: Cannot open file %s
+
+The specified file cannot be opened.  Check that the path and name are
+correct.
+
+*/

src/reader_native.h

@@ -52,3 +52,15 @@ private:
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Dump file is incorrectly formatted
+
+No atoms were found in file.
+
+E: Unexpected end of dump file
+
+A read operation from the file failed.
+
+*/

src/reader_xyz.h

@@ -52,3 +52,15 @@ private:
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Dump file is incorrectly formatted
+
+No atoms were found in file.
+
+E: Unexpected end of dump file
+
+A read operation from the file failed.
+
+*/

src/rerun.h

@@ -34,3 +34,22 @@ class Rerun : protected Pointers {
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+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: Rerun command before simulation box is defined
+
+The rerun command cannot be used before a read_data, read_restart, or
+create_box command.
+
+E: Rerun dump file does not contain requested snapshot
+
+Self-explanatory.
+
+*/

src/respa.h

@@ -121,6 +121,15 @@ W: No fixes defined, atoms won't move
 If you are not using a fix like nve, nvt, npt then atom velocities and
 coordinates will not be updated during timestepping.
 
+W: Fix shake with rRESPA computes invalid pressures
+
+This is a known bug in LAMMPS that has not yet been fixed.  If you use
+SHAKE with rRESPA and perform a constant volume simulation (e.g. using
+fix npt) this only affects the output pressure, not the dynamics of
+the simulation.  If you use SHAKE with rRESPA and perform a constant
+pressure simulation (e.g. using fix npt) then you will be
+equilibrating to the wrong volume.
+
 E: Pair style does not support rRESPA inner/middle/outer
 
 You are attempting to use rRESPA options with a pair style that

src/update.h

@@ -83,16 +83,13 @@ E: Illegal integrate style
 
 Self-explanatory.
 
-E: Cannot reset timestep with dump file already written to
+E: Timestep must be >= 0
 
-Changing the timestep will confuse when a dump file is written.  Use
+Specified timestep is invalid.
-the undump command, then restart the dump file.
 
-E: Cannot reset timestep with restart file already written
+E: Too big a timestep
 
-Changing the timestep will confuse when a restart file is written.
+Specified timestep is too large.
-Use the "restart 0" command to turn off restarts, then start them
-again.
 
 E: Cannot reset timestep with a time-dependent fix defined
 
@@ -105,12 +102,4 @@ Dynamic regions (see the region command) have a time dependence.
 Thus you cannot change the timestep when one or more of these
 are defined.
 
-E: Timestep must be >= 0
-
-Specified timestep is invalid.
-
-E: Too big a timestep
-
-Specified timestep is too large.
-
 */