From d694b0dee0fcb5ff8b29994f71b08358f1e88337 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Sat, 29 Jun 2013 21:20:42 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10196 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/change_box.h | 10 +++++----- src/compute_temp_ramp.h | 2 +- src/create_atoms.h | 4 ++++ src/displace_atoms.h | 10 +++++----- src/dump.h | 12 ++++++++++++ src/fix_ave_spatial.h | 8 ++++---- src/fix_deform.h | 8 ++++---- src/fix_deposit.h | 10 +++++----- src/fix_dt_reset.h | 10 +++++----- src/fix_indent.h | 10 +++++----- src/fix_langevin.h | 8 ++++---- src/fix_move.h | 10 +++++----- src/fix_recenter.h | 10 +++++----- src/fix_store.h | 8 ++++++++ src/fix_wall.h | 10 +++++----- src/fix_wall_reflect.h | 10 +++++----- src/force.h | 4 ++-- src/input.h | 14 +++++++++++--- src/kspace.h | 4 ++++ src/pair.h | 8 ++++++++ src/read_data.h | 4 ++++ src/region.h | 10 +++++----- src/thermo.h | 10 +++++----- src/variable.h | 4 ++++ src/velocity.h | 10 +++++----- src/write_data.h | 20 ++++++++++++++++++++ 26 files changed, 150 insertions(+), 78 deletions(-) diff --git a/src/change_box.h b/src/change_box.h index 4592cf7031..3e4f626eea 100644 --- a/src/change_box.h +++ b/src/change_box.h @@ -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. + */ diff --git a/src/compute_temp_ramp.h b/src/compute_temp_ramp.h index 7e0a8663c8..987e16ad11 100644 --- a/src/compute_temp_ramp.h +++ b/src/compute_temp_ramp.h @@ -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. diff --git a/src/create_atoms.h b/src/create_atoms.h index 0b5acbfe43..cc40f63624 100644 --- a/src/create_atoms.h +++ b/src/create_atoms.h @@ -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 diff --git a/src/displace_atoms.h b/src/displace_atoms.h index 11906f9aea..ee746373f5 100644 --- a/src/displace_atoms.h +++ b/src/displace_atoms.h @@ -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. + */ diff --git a/src/dump.h b/src/dump.h index cf14d8ebb7..12113df549 100644 --- a/src/dump.h +++ b/src/dump.h @@ -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 + */ diff --git a/src/fix_ave_spatial.h b/src/fix_ave_spatial.h index 279942f7f0..16c8982a8c 100644 --- a/src/fix_ave_spatial.h +++ b/src/fix_ave_spatial.h @@ -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. + */ diff --git a/src/fix_deform.h b/src/fix_deform.h index 4b23af6df5..1dae5e9b36 100644 --- a/src/fix_deform.h +++ b/src/fix_deform.h @@ -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. + */ diff --git a/src/fix_deposit.h b/src/fix_deposit.h index 5625dc1976..8b2e9f1052 100644 --- a/src/fix_deposit.h +++ b/src/fix_deposit.h @@ -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. + */ diff --git a/src/fix_dt_reset.h b/src/fix_dt_reset.h index f802f413ac..e758217674 100644 --- a/src/fix_dt_reset.h +++ b/src/fix_dt_reset.h @@ -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. + */ diff --git a/src/fix_indent.h b/src/fix_indent.h index 6e0bad8ec8..f84bb7991d 100644 --- a/src/fix_indent.h +++ b/src/fix_indent.h @@ -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. + */ diff --git a/src/fix_langevin.h b/src/fix_langevin.h index c20cc2dcd0..bba5516633 100644 --- a/src/fix_langevin.h +++ b/src/fix_langevin.h @@ -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. diff --git a/src/fix_move.h b/src/fix_move.h index cb3dfc13fd..9ad3c70890 100644 --- a/src/fix_move.h +++ b/src/fix_move.h @@ -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. + */ diff --git a/src/fix_recenter.h b/src/fix_recenter.h index 9b0977787f..9ee5e46a14 100644 --- a/src/fix_recenter.h +++ b/src/fix_recenter.h @@ -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. + */ diff --git a/src/fix_store.h b/src/fix_store.h index f3b140152c..a7c9905b43 100644 --- a/src/fix_store.h +++ b/src/fix_store.h @@ -52,3 +52,11 @@ class FixStore : public Fix { #endif #endif + +/* ERROR/WARNING messages: + +E: Illegal ... command + +UNDOCUMENTED + +*/ diff --git a/src/fix_wall.h b/src/fix_wall.h index c5b610e38d..6e74045a3a 100644 --- a/src/fix_wall.h +++ b/src/fix_wall.h @@ -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. + */ diff --git a/src/fix_wall_reflect.h b/src/fix_wall_reflect.h index d1d345c531..5bc3a879cd 100644 --- a/src/fix_wall_reflect.h +++ b/src/fix_wall_reflect.h @@ -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. + */ diff --git a/src/force.h b/src/force.h index d7165e9f06..1c9b352567 100644 --- a/src/force.h +++ b/src/force.h @@ -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. diff --git a/src/input.h b/src/input.h index 0699cee5d3..b00d5c44ca 100644 --- a/src/input.h +++ b/src/input.h @@ -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. + */ diff --git a/src/kspace.h b/src/kspace.h index 010812bd48..a3b0ab92db 100644 --- a/src/kspace.h +++ b/src/kspace.h @@ -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. diff --git a/src/pair.h b/src/pair.h index 8ccba21b8e..635d74756d 100644 --- a/src/pair.h +++ b/src/pair.h @@ -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 diff --git a/src/read_data.h b/src/read_data.h index b1d3bb48b1..40bcdc0a0c 100644 --- a/src/read_data.h +++ b/src/read_data.h @@ -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. diff --git a/src/region.h b/src/region.h index 0a1d888a98..9c16036573 100644 --- a/src/region.h +++ b/src/region.h @@ -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. + */ diff --git a/src/thermo.h b/src/thermo.h index 168447f76f..35b2c45cda 100644 --- a/src/thermo.h +++ b/src/thermo.h @@ -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. diff --git a/src/variable.h b/src/variable.h index 48b9f10dce..9a5071490c 100644 --- a/src/variable.h +++ b/src/variable.h @@ -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. diff --git a/src/velocity.h b/src/velocity.h index 8fa8be7f04..076dc1d343 100644 --- a/src/velocity.h +++ b/src/velocity.h @@ -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. + */ diff --git a/src/write_data.h b/src/write_data.h index e879b00d76..ec4b373090 100644 --- a/src/write_data.h +++ b/src/write_data.h @@ -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 + +*/