diff --git a/src/Make.py b/src/Make.py
index 29bcd930c2235b8a14f82fb08dfcc1e9fda8c956..b6a13036da805ef70fbaa1f42a69d033165d3895 100755
--- a/src/Make.py
+++ b/src/Make.py
@@ -1751,6 +1751,7 @@ class MakeReader:
varinfo = []
newlines = []
pattern = "(\S+\s+=\s+)(.*)"
+ conditional = 0
multiline = 0
self.ccindex = self.lmpindex = 0
@@ -1758,6 +1759,13 @@ class MakeReader:
line = line[:-1]
if "CC =" in line: self.ccindex = len(newlines)
if "LAMMPS-specific settings" in line: self.lmpindex = len(newlines)
+ if "ifeq" in line:
+ conditional = 1
+ continue
+ if conditional:
+ if "endif" in line:
+ conditional = 0
+ continue
if multiline:
if '#' in line: line = line[:line.find('#')]
morevalues = line.split()
diff --git a/src/angle_hybrid.h b/src/angle_hybrid.h
index 4cddff2c6154e3eba9cb1f8246e28b841e6c6dad..46ec7d5959712d133409c88106f4e7a0fa5df7dc 100644
--- a/src/angle_hybrid.h
+++ b/src/angle_hybrid.h
@@ -78,6 +78,14 @@ E: Angle style hybrid cannot have none as an argument
Self-explanatory.
+E: BondAngle coeff for hybrid angle has invalid format
+
+UNDOCUMENTED
+
+E: BondBond coeff for hybrid angle has invalid format
+
+UNDOCUMENTED
+
E: Angle coeff for hybrid has invalid style
Angle style hybrid uses another angle style as one of its
diff --git a/src/atom.h b/src/atom.h
index 1ba60b6ca51727127a7a26c54abc7822532119e1..2de70119a37eac0ef289e79913fce36477f0158e 100644
--- a/src/atom.h
+++ b/src/atom.h
@@ -302,9 +302,9 @@ E: Atom IDs must be used for molecular systems
Atom IDs are used to identify and find partner atoms in bonds.
-E: Invalid atom style
+E: Unknown atom style
-The choice of atom style is unknown.
+UNDOCUMENTED
E: Could not find atom_modify first group ID
@@ -467,4 +467,8 @@ E: Too many atom sorting bins
This is likely due to an immense simulation box that has blown up
to a large size.
+U: Invalid atom style
+
+The choice of atom style is unknown.
+
*/
diff --git a/src/atom_vec.h b/src/atom_vec.h
index c1baab248f822c368df68233678a6c9714e0b8a2..ef341d1d0d2c1c352c8bd4ea11251155f6fed3c4 100644
--- a/src/atom_vec.h
+++ b/src/atom_vec.h
@@ -162,4 +162,8 @@ E: USER-CUDA package requires a cuda enabled atom_style
Self-explanatory.
+E: KOKKOS package requires a kokkos enabled atom_style
+
+UNDOCUMENTED
+
*/
diff --git a/src/atom_vec_body.h b/src/atom_vec_body.h
index 2cea81e80bd4f50c97b664543e8d7fdf05d434f7..a8bca5f12a029030ae80ef139f7a5abb47201eb1 100644
--- a/src/atom_vec_body.h
+++ b/src/atom_vec_body.h
@@ -122,9 +122,9 @@ E: Invalid atom_style body command
No body style argument was provided.
-E: Invalid body style
+E: Unknown body style
-The choice of body style is unknown.
+UNDOCUMENTED
E: Per-processor system is too big
@@ -143,4 +143,8 @@ E: Assigning body parameters to non-body atom
Self-explanatory.
+U: Invalid body style
+
+The choice of body style is unknown.
+
*/
diff --git a/src/balance.h b/src/balance.h
index 2bf0b9562014c9fb49a36ef89bcc92b8a3fb6306..54a60de9485373dc5dd7c0ef100656b530402da2 100644
--- a/src/balance.h
+++ b/src/balance.h
@@ -105,9 +105,13 @@ E: Cannot balance in z dimension for 2d simulation
Self-explanatory.
-E: Balance dynamic string is invalid
+E: Balance shift string is invalid
-The string can only contain the characters "x", "y", or "z".
+UNDOCUMENTED
+
+E: Balance rcb cannot be used with comm_style brick
+
+UNDOCUMENTED
E: Lost atoms via balance: original %ld current %ld
@@ -119,4 +123,8 @@ This should not occur. It means two or more cutting plane locations
are on top of each other or out of order. Report the problem to the
developers.
+U: Balance dynamic string is invalid
+
+The string can only contain the characters "x", "y", or "z".
+
*/
diff --git a/src/comm.h b/src/comm.h
index 0e6dfa2fbf714e30affa506e0fab7f7f3a52f38f..87a9a5f9f332fd604ffe74cadf90bc230ae2a2e5 100644
--- a/src/comm.h
+++ b/src/comm.h
@@ -142,4 +142,60 @@ class Comm : protected Pointers {
/* ERROR/WARNING messages:
+W: OMP_NUM_THREADS environment is not set.
+
+UNDOCUMENTED
+
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Invalid group in comm_modify command
+
+UNDOCUMENTED
+
+E: Comm_modify group != atom_modify first group
+
+UNDOCUMENTED
+
+E: Invalid cutoff in comm_modify command
+
+UNDOCUMENTED
+
+E: Specified processors != physical processors
+
+UNDOCUMENTED
+
+E: Cannot use processors part command without using partitions
+
+UNDOCUMENTED
+
+E: Invalid partitions in processors part command
+
+UNDOCUMENTED
+
+E: Sending partition in processors part command is already a sender
+
+UNDOCUMENTED
+
+E: Receiving partition in processors part command is already a receiver
+
+UNDOCUMENTED
+
+E: Processors grid numa and map style are incompatible
+
+UNDOCUMENTED
+
+E: Processors part option and grid style are incompatible
+
+UNDOCUMENTED
+
+E: Bad grid of processors
+
+UNDOCUMENTED
+
+E: Processor count in z must be 1 for 2d simulation
+
+UNDOCUMENTED
+
*/
diff --git a/src/comm_brick.h b/src/comm_brick.h
index ae84d6c2a8016e6a5b693452dcfdcf59a1f1a346..f39746bc41871cf6b89dcc5bd929930726f0af10 100644
--- a/src/comm_brick.h
+++ b/src/comm_brick.h
@@ -92,66 +92,70 @@ class CommBrick : public Comm {
/* ERROR/WARNING messages:
-W: OMP_NUM_THREADS environment is not set.
+E: Cannot change to comm_style brick from tiled layout
+
+UNDOCUMENTED
+
+U: OMP_NUM_THREADS environment is not set.
This environment variable must be set appropriately to use the
USER-OMP pacakge.
-E: Bad grid of processors
+U: Bad grid of processors
The 3d grid of processors defined by the processors command does not
match the number of processors LAMMPS is being run on.
-E: Processor count in z must be 1 for 2d simulation
+U: Processor count in z must be 1 for 2d simulation
Self-explanatory.
-E: Illegal ... command
+U: 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: Invalid group in communicate command
+U: Invalid group in communicate command
Self-explanatory.
-E: Communicate group != atom_modify first group
+U: Communicate group != atom_modify first group
Self-explanatory.
-E: Invalid cutoff in communicate command
+U: Invalid cutoff in communicate command
Specified cutoff must be >= 0.0.
-E: Specified processors != physical processors
+U: Specified processors != physical processors
The 3d grid of processors defined by the processors command does not
match the number of processors LAMMPS is being run on.
-E: Cannot use processors part command without using partitions
+U: Cannot use processors part command without using partitions
See the command-line -partition switch.
-E: Invalid partitions in processors part command
+U: Invalid partitions in processors part command
Valid partitions are numbered 1 to N and the sender and receiver
cannot be the same partition.
-E: Sending partition in processors part command is already a sender
+U: Sending partition in processors part command is already a sender
Cannot specify a partition to be a sender twice.
-E: Receiving partition in processors part command is already a receiver
+U: Receiving partition in processors part command is already a receiver
Cannot specify a partition to be a receiver twice.
-E: Processors grid numa and map style are incompatible
+U: Processors grid numa and map style are incompatible
Using numa for gstyle in the processors command requires using
cart for the map option.
-E: Processors part option and grid style are incompatible
+U: Processors part option and grid style are incompatible
Cannot use gstyle numa or custom with the part option.
diff --git a/src/comm_tiled.h b/src/comm_tiled.h
index 91b501279eb7955fd42c1ee93304540398c0bd4c..e5aa3453bc5a2e03a400d0302fcb00bff48db161 100644
--- a/src/comm_tiled.h
+++ b/src/comm_tiled.h
@@ -152,4 +152,32 @@ class CommTiled : public Comm {
/* ERROR/WARNING messages:
+E: USER-CUDA package does not yet support comm_style tiled
+
+UNDOCUMENTED
+
+E: KOKKOS package does not yet support comm_style tiled
+
+UNDOCUMENTED
+
+E: Cannot yet use comm_style tiled with triclinic box
+
+UNDOCUMENTED
+
+E: Cannot yet use comm_style tiled with multi-mode comm
+
+UNDOCUMENTED
+
+E: Communication cutoff for comm_style tiled cannot exceed periodic box length
+
+UNDOCUMENTED
+
+E: Comm tiled mis-match in box drop brick
+
+UNDOCUMENTED
+
+E: Comm tiled invalid index in box drop brick
+
+UNDOCUMENTED
+
*/
diff --git a/src/compute.h b/src/compute.h
index 57eee05aedcadc989fc8b329812710a7bede33a4..bb8d2b3cbbfa358164a84bc1434079eebb63b720 100644
--- a/src/compute.h
+++ b/src/compute.h
@@ -189,17 +189,17 @@ E: Compute does not allow an extra compute or fix to be reset
This is an internal LAMMPS error. Please report it to the
developers.
-W: Atom with molecule ID = 0 included in compute molecule group
+U: Atom with molecule ID = 0 included in compute molecule group
The group used in a compute command that operates on moleclues
includes atoms with no molecule ID. This is probably not what you
want.
-E: Too many molecules for compute
+U: Too many molecules for compute
The limit is 2^31 = ~2 billion molecules.
-W: One or more compute molecules has atoms not in group
+U: One or more compute molecules has atoms not in group
The group used in a compute command that operates on moleclues does
not include all the atoms in some molecules. This is probably not
diff --git a/src/compute_chunk_atom.h b/src/compute_chunk_atom.h
index aa42a1f0c46bf52dd9a61dc2378bfccc90d181e2..0f8aea18cc0d098835bfaef8709c5663a1eed72c 100644
--- a/src/compute_chunk_atom.h
+++ b/src/compute_chunk_atom.h
@@ -118,7 +118,99 @@ 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.
-W: More than one compute ke/atom
+E: Region ID for compute chunk/atom does not exist
+
+UNDOCUMENTED
+
+E: Compute chunk/atom molecule for non-molecular system
+
+UNDOCUMENTED
+
+E: Compute chunk/atom without bins cannot use discard mixed
+
+UNDOCUMENTED
+
+E: Compute ID for compute chunk/atom does not exist
+
+UNDOCUMENTED
+
+E: Compute chunk/atom compute does not calculate per-atom values
+
+UNDOCUMENTED
+
+E: Compute chunk/atom compute does not calculate a per-atom vector
+
+UNDOCUMENTED
+
+E: Compute chunk/atom compute does not calculate a per-atom array
+
+UNDOCUMENTED
+
+E: Compute chunk/atom compute array is accessed out-of-range
+
+UNDOCUMENTED
+
+E: Fix ID for compute chunk/atom does not exist
+
+UNDOCUMENTED
+
+E: Compute chunk/atom fix does not calculate per-atom values
+
+UNDOCUMENTED
+
+E: Compute chunk/atom fix does not calculate a per-atom vector
+
+UNDOCUMENTED
+
+E: Compute chunk/atom fix does not calculate a per-atom array
+
+UNDOCUMENTED
+
+E: Compute chunk/atom fix array is accessed out-of-range
+
+UNDOCUMENTED
+
+E: Variable name for compute chunk/atom does not exist
+
+UNDOCUMENTED
+
+E: Compute chunk/atom variable is not atom-style variable
+
+UNDOCUMENTED
+
+E: Compute chunk/atom for triclinic boxes requires units reduced
+
+UNDOCUMENTED
+
+E: Molecule IDs too large for compute chunk/atom
+
+UNDOCUMENTED
+
+E: Compute chunk/atom ids once but nchunk is not once
+
+UNDOCUMENTED
+
+E: Two fix ave/chunk commands using same compute chunk/atom command in incompatible ways
+
+UNDOCUMENTED
+
+E: Fix used in compute chunk/atom not computed at compatible time
+
+UNDOCUMENTED
+
+W: One or more chunks do not contain all atoms in molecule
+
+UNDOCUMENTED
+
+E: Invalid bin bounds in fix ave/spatial
+
+UNDOCUMENTED
+
+E: Cannot use compute chunk/atom bin z for 2d model
+
+UNDOCUMENTED
+
+U: More than one compute ke/atom
It is not efficient to use compute ke/atom more than once.
diff --git a/src/compute_com_chunk.h b/src/compute_com_chunk.h
index 543a5659005921ca14d435c2dce40cfa3c214237..eeb62208b3b0acece77140c4a5b3fcf7a89b0ce0 100644
--- a/src/compute_com_chunk.h
+++ b/src/compute_com_chunk.h
@@ -65,11 +65,19 @@ 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: Compute com/molecule requires molecular atom style
+E: Chunk/atom compute does not exist for compute com/chunk
+
+UNDOCUMENTED
+
+E: Compute com/chunk does not use chunk/atom compute
+
+UNDOCUMENTED
+
+U: Compute com/molecule requires molecular atom style
Self-explanatory.
-E: Molecule count changed in compute com/molecule
+U: Molecule count changed in compute com/molecule
Number of molecules must remain constant over time.
diff --git a/src/compute_gyration_chunk.h b/src/compute_gyration_chunk.h
index 85ed59e14f8b2762e40b76669318f30280e48f87..9d3a24faf821688f9732fc341ff4ab492e2b1d92 100644
--- a/src/compute_gyration_chunk.h
+++ b/src/compute_gyration_chunk.h
@@ -69,11 +69,19 @@ 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: Compute gyration/molecule requires molecular atom style
+E: Chunk/atom compute does not exist for compute gyration/chunk
+
+UNDOCUMENTED
+
+E: Compute gyration/chunk does not use chunk/atom compute
+
+UNDOCUMENTED
+
+U: Compute gyration/molecule requires molecular atom style
Self-explanatory.
-E: Molecule count changed in compute gyration/molecule
+U: Molecule count changed in compute gyration/molecule
Number of molecules must remain constant over time.
diff --git a/src/compute_inertia_chunk.h b/src/compute_inertia_chunk.h
index a42b18149e3f7557e65ee3d8773f621d98512ae2..a7f802b2661c2b7bdfae6b9beac5213cf4547a0e 100644
--- a/src/compute_inertia_chunk.h
+++ b/src/compute_inertia_chunk.h
@@ -64,11 +64,19 @@ 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: Compute inertia/molecule requires molecular atom style
+E: Chunk/atom compute does not exist for compute inertia/chunk
+
+UNDOCUMENTED
+
+E: Compute inertia/chunk does not use chunk/atom compute
+
+UNDOCUMENTED
+
+U: Compute inertia/molecule requires molecular atom style
Self-explanatory.
-E: Molecule count changed in compute inertia/molecule
+U: Molecule count changed in compute inertia/molecule
Number of molecules must remain constant over time.
diff --git a/src/compute_msd_chunk.h b/src/compute_msd_chunk.h
index 269fb153baeebf96902a1b3b7909559676ef6de8..97e2a2578b3e7af82a5c8b4455eb7a63cf885bea 100644
--- a/src/compute_msd_chunk.h
+++ b/src/compute_msd_chunk.h
@@ -67,11 +67,23 @@ 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: Compute com/molecule requires molecular atom style
+E: Chunk/atom compute does not exist for compute msd/chunk
+
+UNDOCUMENTED
+
+E: Compute msd/chunk does not use chunk/atom compute
+
+UNDOCUMENTED
+
+E: Compute msd/chunk nchunk is not static
+
+UNDOCUMENTED
+
+U: Compute com/molecule requires molecular atom style
Self-explanatory.
-E: Molecule count changed in compute com/molecule
+U: Molecule count changed in compute com/molecule
Number of molecules must remain constant over time.
diff --git a/src/compute_pressure.h b/src/compute_pressure.h
index e2f25ae75d4821396b4ad982158571c77eb15528..7b0b99ef45cc90493e4e9b1b3e81cd703226d8e7 100644
--- a/src/compute_pressure.h
+++ b/src/compute_pressure.h
@@ -74,10 +74,9 @@ E: Compute pressure temperature ID does not compute temperature
The compute ID assigned to a pressure computation must compute
temperature.
-E: Must use 'kspace_modify pressure/scalar no' to get individual
-components of pressure tensor with kspace_style MSM
+E: Compute pressure requires temperature ID to include kinetic energy
-Self-explanatory.
+UNDOCUMENTED
E: Virial was not tallied on needed timestep
@@ -85,4 +84,13 @@ You are using a thermo keyword that requires potentials to
have tallied the virial, but they didn't on this timestep. See the
variable doc page for ideas on how to make this work.
+E: Kspace_modify pressure/scalar no required for components of pressure tensor with kspace_style msm
+
+UNDOCUMENTED
+
+U: Must use 'kspace_modify pressure/scalar no' to get individual
+components of pressure tensor with kspace_style MSM
+
+Self-explanatory.
+
*/
diff --git a/src/compute_property_atom.h b/src/compute_property_atom.h
index e9e957918bd5ac63ad222d88c6bd12ca04897ed8..67fe83eeaba569a7b37f3d58e57fdf6ddbbe0486 100644
--- a/src/compute_property_atom.h
+++ b/src/compute_property_atom.h
@@ -143,12 +143,12 @@ E: Compute property/atom for atom property that isn't allocated
Self-explanatory.
-E: Compute property/atom floating point vector does not exist
+E: Compute property/atom integer vector does not exist
The command is accessing a vector added by the fix property/atom
command, that does not exist.
-E: Compute property/atom integer vector does not exist
+E: Compute property/atom floating point vector does not exist
The command is accessing a vector added by the fix property/atom
command, that does not exist.
diff --git a/src/compute_property_chunk.h b/src/compute_property_chunk.h
index 21e9078d5d1d784661e023d29f6a1fc05814c672..5cb52b2af1a1c1816d03d7bc3a8464d9ec0d50ee 100644
--- a/src/compute_property_chunk.h
+++ b/src/compute_property_chunk.h
@@ -75,15 +75,43 @@ 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: Compute property/molecule requires molecular atom style
+E: Compute chunk/atom stores no IDs for compute property/chunk
+
+UNDOCUMENTED
+
+E: Compute chunk/atom stores no coord1 for compute property/chunk
+
+UNDOCUMENTED
+
+E: Compute chunk/atom stores no coord2 for compute property/chunk
+
+UNDOCUMENTED
+
+E: Compute chunk/atom stores no coord3 for compute property/chunk
+
+UNDOCUMENTED
+
+E: Invalid keyword in compute property/chunk command
+
+UNDOCUMENTED
+
+E: Chunk/atom compute does not exist for compute property/chunk
+
+UNDOCUMENTED
+
+E: Compute property/chunk does not use chunk/atom compute
+
+UNDOCUMENTED
+
+U: Compute property/molecule requires molecular atom style
Self-explanatory.
-E: Invalid keyword in compute property/molecule command
+U: Invalid keyword in compute property/molecule command
Self-explanatory.
-E: Molecule count changed in compute property/molecule
+U: Molecule count changed in compute property/molecule
Number of molecules must remain constant over time.
diff --git a/src/compute_reduce.h b/src/compute_reduce.h
index 9701f0e61efa48b0cd04c4c5e75c20e8043391ff..fa7cb911df07f4ab97fc22e9eeca16d7babf08e4 100644
--- a/src/compute_reduce.h
+++ b/src/compute_reduce.h
@@ -74,6 +74,10 @@ E: Region ID for compute reduce/region does not exist
Self-explanatory.
+E: Unkown derived compute reduce style
+
+UNDOCUMENTED
+
E: Compute reduce replace requires min or max mode
Self-explanatory.
diff --git a/src/compute_stress_atom.h b/src/compute_stress_atom.h
index 07fde385e53678aaeacb5404278fcf97b7ec2ea4..ffb1d87095278d8c2f169be05782d0d89ee6ca73 100644
--- a/src/compute_stress_atom.h
+++ b/src/compute_stress_atom.h
@@ -57,6 +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: Could not find compute stress/atom temperature ID
+
+UNDOCUMENTED
+
+E: Compute stress/atom temperature ID does not compute temperature
+
+UNDOCUMENTED
+
E: Per-atom virial was not tallied on needed timestep
You are using a thermo keyword that requires potentials to have
diff --git a/src/compute_temp_chunk.h b/src/compute_temp_chunk.h
index 2f2fba24c7a1584430cc7f927a9b1fd806d2567e..67ce89a951a2f3cc786d01dc3a1470280bf97ac5 100644
--- a/src/compute_temp_chunk.h
+++ b/src/compute_temp_chunk.h
@@ -82,11 +82,35 @@ 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: Compute com/molecule requires molecular atom style
+E: Could not find compute ID for temperature bias
+
+UNDOCUMENTED
+
+E: Bias compute does not calculate temperature
+
+UNDOCUMENTED
+
+E: Bias compute does not calculate a velocity bias
+
+UNDOCUMENTED
+
+E: Cannot use both com and bias with compute temp/chunk
+
+UNDOCUMENTED
+
+E: Chunk/atom compute does not exist for compute temp/chunk
+
+UNDOCUMENTED
+
+E: Compute temp/chunk does not use chunk/atom compute
+
+UNDOCUMENTED
+
+U: Compute com/molecule requires molecular atom style
Self-explanatory.
-E: Molecule count changed in compute com/molecule
+U: Molecule count changed in compute com/molecule
Number of molecules must remain constant over time.
diff --git a/src/compute_torque_chunk.h b/src/compute_torque_chunk.h
index 2a684939f1c953277f3a192d90f2e61f21de8be6..b52bb00501843cb89d6fc09214a467fc673ef417 100644
--- a/src/compute_torque_chunk.h
+++ b/src/compute_torque_chunk.h
@@ -64,11 +64,19 @@ 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: Compute inertia/molecule requires molecular atom style
+E: Chunk/atom compute does not exist for compute torque/chunk
+
+UNDOCUMENTED
+
+E: Compute torque/chunk does not use chunk/atom compute
+
+UNDOCUMENTED
+
+U: Compute inertia/molecule requires molecular atom style
Self-explanatory.
-E: Molecule count changed in compute inertia/molecule
+U: Molecule count changed in compute inertia/molecule
Number of molecules must remain constant over time.
diff --git a/src/compute_vcm_chunk.h b/src/compute_vcm_chunk.h
index dd49ab8dcf9ff3a2190eb81d7610d0eadaef4be0..d3cceafe73028dd15fac986c308c71ed502e0e77 100644
--- a/src/compute_vcm_chunk.h
+++ b/src/compute_vcm_chunk.h
@@ -65,11 +65,19 @@ 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: Compute vcm/molecule requires molecular atom style
+E: Chunk/atom compute does not exist for compute vcm/chunk
+
+UNDOCUMENTED
+
+E: Compute vcm/chunk does not use chunk/atom compute
+
+UNDOCUMENTED
+
+U: Compute vcm/molecule requires molecular atom style
Self-explanatory.
-E: Molecule count changed in compute vcm/molecule
+U: Molecule count changed in compute vcm/molecule
Number of molecules must remain constant over time.
diff --git a/src/create_atoms.h b/src/create_atoms.h
index 1117c170e1c623e5f2a632843d93efa99ba1986b..3a501549acaf59880ef9805d057b0e7b9d9d260a 100644
--- a/src/create_atoms.h
+++ b/src/create_atoms.h
@@ -95,6 +95,14 @@ W: Molecule template for create_atoms has multiple molecules
The create_atoms command will only create molecules of a single type,
i.e. the first molecule in the template.
+E: Cannot use create_atoms rotate unless single style
+
+UNDOCUMENTED
+
+E: Invalid create_atoms rotation vector for 2d model
+
+UNDOCUMENTED
+
E: Invalid atom type in create_atoms command
The create_box command specified the range of valid atom types.
@@ -119,6 +127,18 @@ E: Create_atoms molecule has atom IDs, but system does not
The atom_style id command can be used to force atom IDs to be stored.
+E: Incomplete use of variables in create_atoms command
+
+UNDOCUMENTED
+
+E: Variable name for create_atoms does not exist
+
+UNDOCUMENTED
+
+E: Variable for create_atoms is invalid style
+
+UNDOCUMENTED
+
E: Cannot create atoms with undefined lattice
Must use the lattice command before using the create_atoms
diff --git a/src/create_bonds.h b/src/create_bonds.h
index ea9295f3c1415b85a505f69cd690ca3622a5c95b..69842e33831721ac07f1184b0e723ce858d0a1cc 100644
--- a/src/create_bonds.h
+++ b/src/create_bonds.h
@@ -42,10 +42,17 @@ class CreateBonds : protected Pointers {
/* ERROR/WARNING messages:
-E: Delete_atoms command before simulation box is defined
+E: Create_bonds command before simulation box is defined
-The delete_atoms command cannot be used before a read_data,
-read_restart, or create_box command.
+UNDOCUMENTED
+
+E: Cannot use create_bonds unless atoms have IDs
+
+UNDOCUMENTED
+
+E: Cannot use create_bonds with non-molecular system
+
+UNDOCUMENTED
E: Illegal ... command
@@ -53,25 +60,62 @@ 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 delete_atoms unless atoms have IDs
+E: Cannot find create_bonds group ID
+
+UNDOCUMENTED
+
+E: Invalid bond type in create_bonds command
+
+UNDOCUMENTED
+
+E: Create_bonds requires a pair style be defined
+
+UNDOCUMENTED
+
+E: Create_bonds max distance > neighbor cutoff
+
+UNDOCUMENTED
+
+W: Create_bonds max distance > minimum neighbor cutoff
+
+UNDOCUMENTED
+
+E: Create_bonds command requires special_bonds 1-2 weights be 0.0
+
+UNDOCUMENTED
+
+E: Create_bonds command requires no kspace_style be defined
+
+UNDOCUMENTED
+
+E: New bond exceeded bonds per atom in create_bonds
+
+UNDOCUMENTED
+
+U: Delete_atoms command before simulation box is defined
+
+The delete_atoms command cannot be used before a read_data,
+read_restart, or create_box command.
+
+U: Cannot use delete_atoms unless atoms have IDs
Your atoms do not have IDs, so the delete_atoms command cannot be
used.
-E: Could not find delete_atoms group ID
+U: Could not find delete_atoms group ID
Group ID used in the delete_atoms command does not exist.
-E: Could not find delete_atoms region ID
+U: Could not find delete_atoms region ID
Region ID used in the delete_atoms command does not exist.
-E: Delete_atoms requires a pair style be defined
+U: Delete_atoms requires a pair style be defined
This is because atom deletion within a cutoff uses a pairwise
neighbor list.
-E: Delete_atoms cutoff > neighbor cutoff
+U: Delete_atoms cutoff > neighbor cutoff
Cannot delete atoms further away than a processor knows about.
diff --git a/src/delete_atoms.h b/src/delete_atoms.h
index de2f9e19e4ec6d6ad987b35856d41258f87b65b5..a0510801067c569d5a8017bf950e0f951e45d21b 100644
--- a/src/delete_atoms.h
+++ b/src/delete_atoms.h
@@ -93,7 +93,27 @@ E: Delete_atoms requires a pair style be defined
This is because atom deletion within a cutoff uses a pairwise
neighbor list.
-E: Delete_atoms cutoff > neighbor cutoff
+E: Delete_atoms cutoff > max neighbor cutoff
+
+UNDOCUMENTED
+
+W: Delete_atoms cutoff > minimum neighbor cutoff
+
+UNDOCUMENTED
+
+E: Cannot delete_atoms bond yes for non-molecular systems
+
+UNDOCUMENTED
+
+E: Cannot use delete_atoms bond yes with atom_style template
+
+UNDOCUMENTED
+
+E: Cannot delete_atoms mol yes for non-molecular systems
+
+UNDOCUMENTED
+
+U: Delete_atoms cutoff > neighbor cutoff
Cannot delete atoms further away than a processor knows about.
diff --git a/src/domain.h b/src/domain.h
index c5f74f6b284f086fb00eb5effbbbf065924ef2de..f74ccf49a62ffcd5e0c4947c07d3a58486bd5f01 100644
--- a/src/domain.h
+++ b/src/domain.h
@@ -230,6 +230,10 @@ 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.
+W: Proc sub-domain size < neighbor skin, could lead to lost atoms
+
+UNDOCUMENTED
+
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
@@ -240,9 +244,9 @@ E: Reuse of region ID
A region ID cannot be used twice.
-E: Invalid region style
+E: Unknown region style
-The choice of region style is unknown.
+UNDOCUMENTED
E: Delete region ID does not exist
@@ -253,4 +257,8 @@ E: Both sides of boundary must be periodic
Cannot specify a boundary as periodic only on the lo or hi side. Must
be periodic on both sides.
+U: Invalid region style
+
+The choice of region style is unknown.
+
*/
diff --git a/src/dump_custom.h b/src/dump_custom.h
index ea3c5ecff891f53b64e9cfb15ac346d64727aab7..36d306afbd6134b5f4b9c6aa4109b5afd17e88c2 100644
--- a/src/dump_custom.h
+++ b/src/dump_custom.h
@@ -216,10 +216,18 @@ E: Could not find dump custom variable name
Self-explanatory.
+E: Could not find custom per-atom property ID
+
+UNDOCUMENTED
+
E: Region ID for dump custom does not exist
Self-explanatory.
+E: Compute used in dump between runs is not current
+
+UNDOCUMENTED
+
E: Threshhold for an atom property that isn't allocated
A dump threshhold has been requested on a quantity that is
@@ -230,11 +238,6 @@ E: Dumping an atom property that isn't allocated
The chosen atom style does not define the per-atom quantity being
dumped.
-E: Dumping an atom quantity that isn't allocated
-
-Only per-atom quantities that are defined for the atom style being
-used are allowed.
-
E: Dump custom compute does not compute per-atom info
Self-explanatory.
@@ -272,6 +275,14 @@ E: Dump custom variable is not atom-style variable
Only atom-style variables generate per-atom quantities, needed for
dump output.
+E: Custom per-atom property ID is not floating point
+
+UNDOCUMENTED
+
+E: Custom per-atom property ID is not integer
+
+UNDOCUMENTED
+
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
@@ -338,8 +349,21 @@ E: Dump modify variable is not atom-style variable
Self-explanatory.
+E: Could not find dump modify custom atom floating point property ID
+
+UNDOCUMENTED
+
+E: Could not find dump modify custom atom integer property ID
+
+UNDOCUMENTED
+
E: Invalid dump_modify threshhold operator
Operator keyword used for threshold specification in not recognized.
+U: Dumping an atom quantity that isn't allocated
+
+Only per-atom quantities that are defined for the atom style being
+used are allowed.
+
*/
diff --git a/src/dump_local.h b/src/dump_local.h
index 862ddf21a577b79846416e95ca7a377d819b5a97..f4a080dc53445c9820b1cdfa3a370de3ff282513 100644
--- a/src/dump_local.h
+++ b/src/dump_local.h
@@ -114,6 +114,10 @@ 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: Compute used in dump between runs is not current
+
+UNDOCUMENTED
+
E: Dump local count is not consistent across input fields
Every column of output must be the same length.
diff --git a/src/fix_adapt.h b/src/fix_adapt.h
index 4cce642d304bc7a25e773048b5943114618a01ce..24fb1c144500b01a7005516c8fda45b30a9d5cdb 100644
--- a/src/fix_adapt.h
+++ b/src/fix_adapt.h
@@ -79,6 +79,10 @@ 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 dynamic group with fix adapt atom
+
+UNDOCUMENTED
+
E: Variable name for fix adapt does not exist
Self-explanatory.
@@ -111,4 +115,8 @@ E: Fix adapt requires atom attribute charge
The atom style being used does not specify an atom charge.
+E: Could not find fix adapt storage fix ID
+
+UNDOCUMENTED
+
*/
diff --git a/src/fix_ave_chunk.cpp b/src/fix_ave_chunk.cpp
index 9d069bcf6ec8e69eddf12b878c9ad68e18668488..751596d243b1f88171a2a9a7fe83abba11c70812 100644
--- a/src/fix_ave_chunk.cpp
+++ b/src/fix_ave_chunk.cpp
@@ -56,7 +56,6 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
global_freq = nfreq;
no_change_box = 1;
- time_depend = 1;
// parse values until one isn't recognized
@@ -378,6 +377,7 @@ FixAveChunk::FixAveChunk(LAMMPS *lmp, int narg, char **arg) :
// since don't know a priori which are invoked by this fix
// once in end_of_step() can set timestep for ones actually invoked
+ nvalid_last = -1;
nvalid = nextvalid();
modify->addstep_compute_all(nvalid);
}
@@ -503,9 +503,13 @@ void FixAveChunk::end_of_step()
int i,j,m,n,index;
// skip if not step which requires doing something
+ // error check if timestep was reset in an invalid manner
bigint ntimestep = update->ntimestep;
+ if (ntimestep < nvalid_last || ntimestep > nvalid)
+ error->all(FLERR,"Invalid timestep resets for fix ave/time");
if (ntimestep != nvalid) return;
+ nvalid_last = nvalid;
// first sample within single Nfreq epoch
// zero out arrays that accumulate over many samples, but not across epochs
diff --git a/src/fix_ave_chunk.h b/src/fix_ave_chunk.h
index 98d74fbea48dccd474668138312e5b4e1ce0ce13..0db550cb5f7be2d149d4833317aa7a2ff731d9c7 100644
--- a/src/fix_ave_chunk.h
+++ b/src/fix_ave_chunk.h
@@ -41,7 +41,7 @@ class FixAveChunk : public Fix {
int me,nvalues;
int nrepeat,nfreq,irepeat;
int normflag,scaleflag,overwrite,biasflag,colextra;
- bigint nvalid;
+ bigint nvalid,nvalid_last;
double adof,cdof;
char *tstring,*sstring,*id_bias;
int *which,*argindex,*value2index;
@@ -86,86 +86,166 @@ 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 fix ave/spatial z for 2 dimensional model
+E: Cannot open fix ave/chunk file %s
+
+UNDOCUMENTED
+
+E: Could not find compute ID for temperature bias
+
+UNDOCUMENTED
+
+E: Bias compute does not calculate temperature
+
+UNDOCUMENTED
+
+E: Bias compute does not calculate a velocity bias
+
+UNDOCUMENTED
+
+E: Compute ID for fix ave/chunk does not exist
+
+UNDOCUMENTED
+
+E: Fix ave/chunk compute does not calculate per-atom values
+
+UNDOCUMENTED
+
+E: Fix ave/chunk compute does not calculate a per-atom vector
+
+UNDOCUMENTED
+
+E: Fix ave/chunk compute does not calculate a per-atom array
+
+UNDOCUMENTED
+
+E: Fix ave/chunk compute vector is accessed out-of-range
+
+UNDOCUMENTED
+
+E: Fix ID for fix ave/chunk does not exist
+
+UNDOCUMENTED
+
+E: Fix ave/chunk fix does not calculate per-atom values
+
+UNDOCUMENTED
+
+E: Fix ave/chunk fix does not calculate a per-atom vector
+
+UNDOCUMENTED
+
+E: Fix ave/chunk fix does not calculate a per-atom array
+
+UNDOCUMENTED
+
+E: Fix ave/chunk fix vector is accessed out-of-range
+
+UNDOCUMENTED
+
+E: Variable name for fix ave/chunk does not exist
+
+UNDOCUMENTED
+
+E: Fix ave/chunk variable is not atom-style variable
+
+UNDOCUMENTED
+
+E: Chunk/atom compute does not exist for fix ave/chunk
+
+UNDOCUMENTED
+
+E: Fix ave/chunk does not use chunk/atom compute
+
+UNDOCUMENTED
+
+E: Fix for fix ave/chunk not computed at compatible time
+
+UNDOCUMENTED
+
+E: Fix ave/chunk missed timestep
+
+UNDOCUMENTED
+
+U: Cannot use fix ave/spatial z for 2 dimensional model
Self-explanatory.
-E: Same dimension twice in fix ave/spatial
+U: Same dimension twice in fix ave/spatial
Self-explanatory.
-E: Region ID for fix ave/spatial does not exist
+U: Region ID for fix ave/spatial does not exist
Self-explanatory.
-E: Cannot open fix ave/spatial file %s
+U: Cannot open fix ave/spatial file %s
The specified file cannot be opened. Check that the path and name are
correct.
-E: Compute ID for fix ave/spatial does not exist
+U: Compute ID for fix ave/spatial does not exist
Self-explanatory.
-E: Fix ave/spatial compute does not calculate per-atom values
+U: Fix ave/spatial compute does not calculate per-atom values
A compute used by fix ave/spatial must generate per-atom values.
-E: Fix ave/spatial compute does not calculate a per-atom vector
+U: Fix ave/spatial compute does not calculate a per-atom vector
A compute used by fix ave/spatial must generate per-atom values.
-E: Fix ave/spatial compute does not calculate a per-atom array
+U: Fix ave/spatial compute does not calculate a per-atom array
Self-explanatory.
-E: Fix ave/spatial compute vector is accessed out-of-range
+U: Fix ave/spatial compute vector is accessed out-of-range
The index for the vector is out of bounds.
-E: Fix ID for fix ave/spatial does not exist
+U: Fix ID for fix ave/spatial does not exist
Self-explanatory.
-E: Fix ave/spatial fix does not calculate per-atom values
+U: Fix ave/spatial fix does not calculate per-atom values
A fix used by fix ave/spatial must generate per-atom values.
-E: Fix ave/spatial fix does not calculate a per-atom vector
+U: Fix ave/spatial fix does not calculate a per-atom vector
A fix used by fix ave/spatial must generate per-atom values.
-E: Fix ave/spatial fix does not calculate a per-atom array
+U: Fix ave/spatial fix does not calculate a per-atom array
Self-explanatory.
-E: Fix ave/spatial fix vector is accessed out-of-range
+U: Fix ave/spatial fix vector is accessed out-of-range
The index for the vector is out of bounds.
-E: Variable name for fix ave/spatial does not exist
+U: Variable name for fix ave/spatial does not exist
Self-explanatory.
-E: Fix ave/spatial variable is not atom-style variable
+U: Fix ave/spatial variable is not atom-style variable
A variable used by fix ave/spatial must generate per-atom values.
-E: Fix ave/spatial for triclinic boxes requires units reduced
+U: Fix ave/spatial for triclinic boxes requires units reduced
Self-explanatory.
-E: Fix ave/spatial settings invalid with changing box size
+U: Fix ave/spatial settings invalid with changing box size
If the box size changes, only the units reduced option can be
used.
-E: Fix for fix ave/spatial not computed at compatible time
+U: 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
+U: Fix ave/spatial missed timestep
You cannot reset the timestep to a value beyond where the fix
expects to next perform averaging.
diff --git a/src/fix_ave_correlate.cpp b/src/fix_ave_correlate.cpp
index 79bbec7654ff711073602843b830109e8b7d5769..9940162c45e469fd20963d1759bf4d7a7b761825 100644
--- a/src/fix_ave_correlate.cpp
+++ b/src/fix_ave_correlate.cpp
@@ -55,7 +55,6 @@ FixAveCorrelate::FixAveCorrelate(LAMMPS * lmp, int narg, char **arg):
nfreq = force->inumeric(FLERR,arg[5]);
global_freq = nfreq;
- time_depend = 1;
// parse values until one isn't recognized
@@ -304,6 +303,7 @@ FixAveCorrelate::FixAveCorrelate(LAMMPS * lmp, int narg, char **arg):
lastindex = -1;
firstindex = 0;
nsample = 0;
+ nvalid_last = -1;
nvalid = nextvalid();
modify->addstep_compute_all(nvalid);
}
@@ -391,9 +391,13 @@ void FixAveCorrelate::end_of_step()
double scalar;
// skip if not step which requires doing something
+ // error check if timestep was reset in an invalid manner
bigint ntimestep = update->ntimestep;
+ if (ntimestep < nvalid_last || ntimestep > nvalid)
+ error->all(FLERR,"Invalid timestep resets for fix ave/time");
if (ntimestep != nvalid) return;
+ nvalid_last = nvalid;
// accumulate results of computes,fixes,variables to origin
// compute/fix/variable may invoke computes so wrap with clear/add
diff --git a/src/fix_ave_correlate.h b/src/fix_ave_correlate.h
index 9ab563ab7e41a9c5850d1b0b4751c58d890a9583..6f9c606d781fc0c5bdb50dd54c8891fd0ae6934e 100644
--- a/src/fix_ave_correlate.h
+++ b/src/fix_ave_correlate.h
@@ -39,7 +39,7 @@ class FixAveCorrelate : public Fix {
private:
int me,nvalues;
int nrepeat,nfreq;
- bigint nvalid;
+ bigint nvalid,nvalid_last;
int *which,*argindex,*value2index;
char **ids;
FILE *fp;
diff --git a/src/fix_ave_histo.cpp b/src/fix_ave_histo.cpp
index a413ada1d38c2b958e5e3387f67efe24e542846b..f3bf0a1cd493ce3492117cf1571d047a9414a95d 100644
--- a/src/fix_ave_histo.cpp
+++ b/src/fix_ave_histo.cpp
@@ -62,7 +62,6 @@ FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
array_flag = 1;
size_array_cols = 3;
extarray = 0;
- time_depend = 1;
lo = force->numeric(FLERR,arg[6]);
hi = force->numeric(FLERR,arg[7]);
@@ -503,6 +502,7 @@ FixAveHisto::FixAveHisto(LAMMPS *lmp, int narg, char **arg) :
// since don't know a priori which are invoked by this fix
// once in end_of_step() can set timestep for ones actually invoked
+ nvalid_last = -1;
nvalid = nextvalid();
modify->addstep_compute_all(nvalid);
}
@@ -589,9 +589,13 @@ void FixAveHisto::end_of_step()
int i,j,m;
// skip if not step which requires doing something
+ // error check if timestep was reset in an invalid manner
bigint ntimestep = update->ntimestep;
+ if (ntimestep < nvalid_last || ntimestep > nvalid)
+ error->all(FLERR,"Invalid timestep resets for fix ave/time");
if (ntimestep != nvalid) return;
+ nvalid_last = nvalid;
// zero if first step
diff --git a/src/fix_ave_histo.h b/src/fix_ave_histo.h
index 2d6bee353e5e6b3e1fb496ce389b0e2894c8d2ea..f4da2d5a224ef6013141388d149620dd34f448f5 100644
--- a/src/fix_ave_histo.h
+++ b/src/fix_ave_histo.h
@@ -40,7 +40,7 @@ class FixAveHisto : public Fix {
private:
int me,nvalues;
int nrepeat,nfreq,irepeat;
- bigint nvalid;
+ bigint nvalid,nvalid_last;
int *which,*argindex,*value2index;
char **ids;
FILE *fp;
diff --git a/src/fix_ave_spatial.cpp b/src/fix_ave_spatial.cpp
index 9d1d46daf5960938d9638a6e358c64d1525f09a9..4e536ea3f56453abef3680ac54ab1bf7d1a63b32 100644
--- a/src/fix_ave_spatial.cpp
+++ b/src/fix_ave_spatial.cpp
@@ -66,7 +66,6 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
global_freq = nfreq;
no_change_box = 1;
- time_depend = 1;
ndim = 0;
int iarg = 6;
@@ -431,6 +430,7 @@ FixAveSpatial::FixAveSpatial(LAMMPS *lmp, int narg, char **arg) :
// since don't know a priori which are invoked by this fix
// once in end_of_step() can set timestep for ones actually invoked
+ nvalid_last = -1;
nvalid = nextvalid();
modify->addstep_compute_all(nvalid);
}
@@ -549,9 +549,13 @@ void FixAveSpatial::end_of_step()
int i,j,m,n;
// skip if not step which requires doing something
+ // error check if timestep was reset in an invalid manner
bigint ntimestep = update->ntimestep;
+ if (ntimestep < nvalid_last || ntimestep > nvalid)
+ error->all(FLERR,"Invalid timestep resets for fix ave/time");
if (ntimestep != nvalid) return;
+ nvalid_last = nvalid;
// update region if necessary
diff --git a/src/fix_ave_spatial.h b/src/fix_ave_spatial.h
index f38c4251ee5d802042f2a9f068269f0c0e08e66b..2e39d0fcaaf190204569db9a4e173f9fe631d39c 100644
--- a/src/fix_ave_spatial.h
+++ b/src/fix_ave_spatial.h
@@ -40,7 +40,7 @@ class FixAveSpatial : public Fix {
private:
int me,nvalues;
int nrepeat,nfreq,irepeat;
- bigint nvalid;
+ bigint nvalid,nvalid_last;
int ndim,normflag,regionflag,overwrite,discard;
char *tstring,*sstring,*idregion;
int *which,*argindex,*value2index;
@@ -88,6 +88,10 @@ class FixAveSpatial : public Fix {
/* ERROR/WARNING messages:
+W: The fix ave/spatial command has been replaced by the more flexible fix ave/chunk and compute chunk/atom commands -- fix ave/spatial will be removed in the summer of 2015
+
+UNDOCUMENTED
+
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
@@ -102,6 +106,10 @@ E: Same dimension twice in fix ave/spatial
Self-explanatory.
+E: No input values for fix ave/spatial
+
+UNDOCUMENTED
+
E: Region ID for fix ave/spatial does not exist
Self-explanatory.
@@ -173,6 +181,10 @@ 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: Invalid bin bounds in fix ave/spatial
+
+UNDOCUMENTED
+
E: Fix ave/spatial missed timestep
You cannot reset the timestep to a value beyond where the fix
diff --git a/src/fix_ave_time.cpp b/src/fix_ave_time.cpp
index f406b650b5c4ba96a8df7732e18b4455da92ddea..a651a778130062a8eeb442ef45a307d67eea63e2 100644
--- a/src/fix_ave_time.cpp
+++ b/src/fix_ave_time.cpp
@@ -54,7 +54,6 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
nfreq = force->inumeric(FLERR,arg[5]);
global_freq = nfreq;
- time_depend = 1;
// scan values to count them
// then read options so know mode = SCALAR/VECTOR before re-reading values
@@ -444,6 +443,7 @@ FixAveTime::FixAveTime(LAMMPS *lmp, int narg, char **arg) :
// since don't know a priori which are invoked by this fix
// once in end_of_step() can set timestep for ones actually invoked
+ nvalid_last = -1;
nvalid = nextvalid();
modify->addstep_compute_all(nvalid);
}
@@ -543,9 +543,13 @@ void FixAveTime::setup(int vflag)
void FixAveTime::end_of_step()
{
// skip if not step which requires doing something
+ // error check if timestep was reset in an invalid manner
bigint ntimestep = update->ntimestep;
+ if (ntimestep < nvalid_last || ntimestep > nvalid)
+ error->all(FLERR,"Invalid timestep resets for fix ave/time");
if (ntimestep != nvalid) return;
+ nvalid_last = nvalid;
if (mode == SCALAR) invoke_scalar(ntimestep);
else invoke_vector(ntimestep);
diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h
index df34bac56f73ab41289d674761514fb741349fc0..f98ea3b96ac5b3a99ed8a971f326f4591c27f45a 100644
--- a/src/fix_ave_time.h
+++ b/src/fix_ave_time.h
@@ -41,7 +41,7 @@ class FixAveTime : public Fix {
private:
int me,nvalues;
int nrepeat,nfreq,irepeat;
- bigint nvalid;
+ bigint nvalid,nvalid_last;
int *which,*argindex,*value2index,*offcol;
int *varlen; // 1 if value is from variable-length compute
char **ids;
@@ -127,6 +127,10 @@ E: Fix ave/time fix does not calculate a vector
Self-explanatory.
+E: Fix ave/time fix vector cannot be variable length
+
+UNDOCUMENTED
+
E: Fix ave/time fix vector is accessed out-of-range
The index for the vector is out of bounds.
@@ -140,6 +144,10 @@ E: Fix ave/time fix does not calculate an array
Self-explanatory.
+E: Fix ave/time fix array cannot be variable length
+
+UNDOCUMENTED
+
E: Fix ave/time fix array is accessed out-of-range
An index for the array is out of bounds.
@@ -156,16 +164,16 @@ E: Fix ave/time cannot use variable with vector mode
Variables produce scalar values.
-E: Fix ave/time columns are inconsistent lengths
-
-Self-explanatory.
-
E: Fix ave/time cannot set output array intensive/extensive from these inputs
One of more of the vector inputs has individual elements which are
flagged as intensive or extensive. Such an input cannot be flagged as
all intensive/extensive when turned into an array by fix ave/time.
+E: Fix ave/time columns are inconsistent lengths
+
+Self-explanatory.
+
E: Cannot open fix ave/time file %s
The specified file cannot be opened. Check that the path and name are
diff --git a/src/fix_balance.h b/src/fix_balance.h
index 775d885d8d2f387a01e4616d775e600a8006285f..967ea6efac3d4d65feb699ead4dea2aafc82eb3d 100644
--- a/src/fix_balance.h
+++ b/src/fix_balance.h
@@ -72,16 +72,24 @@ 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 balance string is invalid
+E: Fix balance shift string is invalid
-The string can only contain the characters "x", "y", or "z".
+UNDOCUMENTED
-E: Fix balance string is invalid for 2d simulation
+E: Fix balance rcb cannot be used with comm_style brick
-The string cannot contain the letter "z".
+UNDOCUMENTED
E: Cannot open fix balance output file
Self-explanatory.
+U: Fix balance string is invalid
+
+The string can only contain the characters "x", "y", or "z".
+
+U: Fix balance string is invalid for 2d simulation
+
+The string cannot contain the letter "z".
+
*/
diff --git a/src/fix_group.h b/src/fix_group.h
index c5a1db106c8ffa96fb3d809e9779b24e9b21894d..fd0944844fcf60b61dd4c24edd15874a7baa0017 100644
--- a/src/fix_group.h
+++ b/src/fix_group.h
@@ -50,4 +50,28 @@ class FixGroup : public Fix {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Region ID for group dynamic does not exist
+
+UNDOCUMENTED
+
+E: Variable name for group dynamic does not exist
+
+UNDOCUMENTED
+
+E: Group dynamic parent group cannot be dynamic
+
+UNDOCUMENTED
+
+E: Variable for group dynamic is invalid style
+
+UNDOCUMENTED
+
+W: One or more dynamic groups may not be updated at correct point in timestep
+
+UNDOCUMENTED
+
*/
diff --git a/src/fix_store_state.h b/src/fix_store_state.h
index fdc6ddc1d1f3079d292cd96ee804138e5b946a1a..2f68fdd0360ef58c86b3c103e99e46a468574d4c 100644
--- a/src/fix_store_state.h
+++ b/src/fix_store_state.h
@@ -143,6 +143,14 @@ E: Fix store/state compute array is accessed out-of-range
Self-explanatory.
+E: Custom integer vector does not exist
+
+UNDOCUMENTED
+
+E: Custom floating point vector does not exist
+
+UNDOCUMENTED
+
E: Fix ID for fix store/state does not exist
Self-explanatory
@@ -177,4 +185,12 @@ E: Fix store/state variable is not atom-style variable
Only atom-style variables calculate per-atom quantities.
+E: Custom integer vector for fix store/state does not exist
+
+UNDOCUMENTED
+
+E: Custom floating point vector for fix store/state does not exist
+
+UNDOCUMENTED
+
*/
diff --git a/src/fix_temp_csvr.h b/src/fix_temp_csvr.h
index bdfc1fe034030ec57fd1a90c1edf16a87d598b6d..df83fb144200327a46dc440e5d7ad8566cf21608 100644
--- a/src/fix_temp_csvr.h
+++ b/src/fix_temp_csvr.h
@@ -67,6 +67,14 @@ E: Fix temp/csvr period must be > 0.0
Self-explanatory.
+E: Illegal fix temp/csvr random seed
+
+UNDOCUMENTED
+
+E: Fix temp/csvr is not compatible with fix shake
+
+UNDOCUMENTED
+
E: Variable name for fix temp/csvr does not exist
Self-explanatory.
@@ -79,10 +87,6 @@ E: Temperature ID for fix temp/csvr does not exist
Self-explanatory.
-E: Computed temperature for fix temp/csvr cannot be 0.0
-
-Self-explanatory.
-
E: Fix temp/csvr variable returned negative temperature
Self-explanatory.
@@ -101,4 +105,8 @@ The fix_modify command is specifying a temperature computation that
computes a temperature on a different group of atoms than the fix
itself operates on. This is probably not what you want to do.
+U: Computed temperature for fix temp/csvr cannot be 0.0
+
+Self-explanatory.
+
*/
diff --git a/src/fix_vector.h b/src/fix_vector.h
index 48179e03aa4d0347d4388db6b129417f8e7d59af..1e042504a00773fe698c7984e1de5deba0ba5608 100644
--- a/src/fix_vector.h
+++ b/src/fix_vector.h
@@ -55,4 +55,60 @@ class FixVector : public Fix {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Compute ID for fix vector does not exist
+
+UNDOCUMENTED
+
+E: Fix vector compute does not calculate a scalar
+
+UNDOCUMENTED
+
+E: Fix vector compute does not calculate a vector
+
+UNDOCUMENTED
+
+E: Fix vector compute vector is accessed out-of-range
+
+UNDOCUMENTED
+
+E: Fix ID for fix vector does not exist
+
+UNDOCUMENTED
+
+E: Fix vector fix does not calculate a scalar
+
+UNDOCUMENTED
+
+E: Fix vector fix does not calculate a vector
+
+UNDOCUMENTED
+
+E: Fix vector fix vector is accessed out-of-range
+
+UNDOCUMENTED
+
+E: Fix for fix vector not computed at compatible time
+
+UNDOCUMENTED
+
+E: Variable name for fix vector does not exist
+
+UNDOCUMENTED
+
+E: Fix vector variable is not equal-style variable
+
+UNDOCUMENTED
+
+E: Fix vector cannot set output array intensive/extensive from these inputs
+
+UNDOCUMENTED
+
+E: Overflow of allocated fix vector storage
+
+UNDOCUMENTED
+
*/
diff --git a/src/force.h b/src/force.h
index 200fcd00af147dff5ae50a268382bb2331a9835c..539374a86e55b6aeaa549e759b51570002d5a3d9 100644
--- a/src/force.h
+++ b/src/force.h
@@ -125,29 +125,33 @@ class Force : protected Pointers {
/* ERROR/WARNING messages:
-E: Invalid pair style
+E: Unknown pair style
-The choice of pair style is unknown.
+UNDOCUMENTED
-E: Invalid bond style
+E: Unknown bond style
-The choice of bond style is unknown.
+UNDOCUMENTED
-E: Invalid angle style
+E: Unknown angle style
-The choice of angle style is unknown.
+UNDOCUMENTED
-E: Invalid dihedral style
+E: Unknown dihedral style
-The choice of dihedral style is unknown.
+UNDOCUMENTED
-E: Invalid improper style
+E: Unknown improper style
-The choice of improper style is unknown.
+UNDOCUMENTED
-E: Invalid kspace style
+E: Cannot yet use KSpace solver with grid with comm style tiled
-The choice of kspace style is unknown.
+UNDOCUMENTED
+
+E: Unknown kspace style
+
+UNDOCUMENTED
E: Illegal ... command
@@ -161,4 +165,28 @@ 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.
+U: Invalid pair style
+
+The choice of pair style is unknown.
+
+U: Invalid bond style
+
+The choice of bond style is unknown.
+
+U: Invalid angle style
+
+The choice of angle style is unknown.
+
+U: Invalid dihedral style
+
+The choice of dihedral style is unknown.
+
+U: Invalid improper style
+
+The choice of improper style is unknown.
+
+U: Invalid kspace style
+
+The choice of kspace style is unknown.
+
*/
diff --git a/src/group.h b/src/group.h
index 7b941665ecd4135b918592f668d7e3e3c229ea23..3d6f313e469d4318f4f597f28ba67b88b4215a94 100644
--- a/src/group.h
+++ b/src/group.h
@@ -118,6 +118,14 @@ E: Cannot delete group currently used by atom_modify first
Self-explanatory.
+E: Could not find group clear group ID
+
+UNDOCUMENTED
+
+E: Cannot clear group all
+
+UNDOCUMENTED
+
E: Too many groups
The maximum number of atom groups (including the "all" group) is
@@ -139,4 +147,28 @@ E: Group ID does not exist
A group ID used in the group command does not exist.
+E: Cannot subtract groups using a dynamic group
+
+UNDOCUMENTED
+
+E: Cannot union groups using a dynamic group
+
+UNDOCUMENTED
+
+E: Cannot intersect groups using a dynamic group
+
+UNDOCUMENTED
+
+E: Group dynamic cannot reference itself
+
+UNDOCUMENTED
+
+E: Group dynamic parent group does not exist
+
+UNDOCUMENTED
+
+E: Group all cannot be made dynamic
+
+UNDOCUMENTED
+
*/
diff --git a/src/input.h b/src/input.h
index d1c3d6c1adf1f19e90983cd45b90ccf15a05fb83..0cea48385777d8fb5f511f923e88175752f24ad9 100644
--- a/src/input.h
+++ b/src/input.h
@@ -312,10 +312,25 @@ E: Package command after simulation box is defined
The package command cannot be used afer a read_data, read_restart, or
create_box command.
-E: Package cuda command without USER-CUDA installed
+E: Package cuda command without USER-CUDA package enabled
-The USER-CUDA package must be installed via "make yes-user-cuda"
-before LAMMPS is built.
+UNDOCUMENTED
+
+E: Package gpu command without GPU package installed
+
+UNDOCUMENTED
+
+E: Package kokkos command without KOKKOS package enabled
+
+UNDOCUMENTED
+
+E: Package omp command without USER-OMP package installed
+
+UNDOCUMENTED
+
+E: Package intel command without USER-INTEL package installed
+
+UNDOCUMENTED
E: Pair_coeff command before simulation box is defined
@@ -349,4 +364,9 @@ 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: Package cuda command without USER-CUDA installed
+
+The USER-CUDA package must be installed via "make yes-user-cuda"
+before LAMMPS is built.
+
*/
diff --git a/src/kspace.h b/src/kspace.h
index 157e028e58fa30d2ef06fabf948f28ed7185d3fd..dc82b9b7325c9c903e2fe1f5ccff4e1d16289a89 100644
--- a/src/kspace.h
+++ b/src/kspace.h
@@ -216,6 +216,18 @@ E: KSpace style is incompatible with Pair style
Setting a kspace style requires that a pair style with a long-range
Coulombic or dispersion component be used.
+W: Using kspace solver on system with no charge
+
+UNDOCUMENTED
+
+E: System is not charge neutral, net charge = %g
+
+UNDOCUMENTED
+
+W: System is not charge neutral, net charge = %g
+
+UNDOCUMENTED
+
W: For better accuracy use 'pair_modify table 0'
The user-specified force accuracy cannot be achieved unless the table
diff --git a/src/lammps.h b/src/lammps.h
index 8ba480becd80dbe60b3e9fb8a77298dfbf1407b8..e6f69fcda06a0b166d9d7210969d3ef88069ff50 100644
--- a/src/lammps.h
+++ b/src/lammps.h
@@ -80,10 +80,9 @@ E: Cannot use -reorder after -partition
Self-explanatory. See doc page discussion of command-line switches.
-E: Processor partitions are inconsistent
+E: Processor partitions do not match number of allocated processors
-The total number of processors in all partitions must match the number
-of processors LAMMPS is running on.
+UNDOCUMENTED
E: Must use -in switch with multiple partitions
@@ -160,9 +159,46 @@ This error occurs whenthe sizes of smallint, imageint, tagint, bigint,
as defined in src/lmptype.h are not what is expected. Contact
the developers if this occurs.
+E: Cannot use -cuda on and -kokkos on together
+
+UNDOCUMENTED
+
E: Cannot use -cuda on without USER-CUDA installed
The USER-CUDA package must be installed via "make yes-user-cuda"
before LAMMPS is built.
+E: Cannot use -kokkos on without KOKKOS installed
+
+UNDOCUMENTED
+
+E: Using suffix cuda without USER-CUDA package enabled
+
+UNDOCUMENTED
+
+E: Using suffix gpu without GPU package installed
+
+UNDOCUMENTED
+
+E: Using suffix intel without USER-INTEL package installed
+
+UNDOCUMENTED
+
+E: Using suffix kk without KOKKOS package enabled
+
+UNDOCUMENTED
+
+E: Using suffix omp without USER-OMP package installed
+
+UNDOCUMENTED
+
+E: Too many -pk arguments in command line
+
+UNDOCUMENTED
+
+U: Processor partitions are inconsistent
+
+The total number of processors in all partitions must match the number
+of processors LAMMPS is running on.
+
*/
diff --git a/src/modify.h b/src/modify.h
index 827592784765972ddf9233408e3797ccbeaa8c2b..bf373406c7915c5bf8fa83b58b38e8d963a2670f 100644
--- a/src/modify.h
+++ b/src/modify.h
@@ -156,6 +156,14 @@ class Modify : protected Pointers {
/* ERROR/WARNING messages:
+E: Fix %s does not allow use of dynamic group
+
+UNDOCUMENTED
+
+E: Compute %s does not allow use of dynamic group
+
+UNDOCUMENTED
+
W: One or more atoms are time integrated more than once
This is probably an error since you typically do not want to
@@ -190,9 +198,9 @@ The ID and style of a fix match for a fix you are changing with a fix
command, but the new group you are specifying does not match the old
group.
-E: Invalid fix style
+E: Unknown fix style
-The choice of fix style is unknown.
+UNDOCUMENTED
E: Could not find fix_modify ID
@@ -206,9 +214,9 @@ E: Reuse of compute ID
A compute ID cannot be used twice.
-E: Invalid compute style
+E: Unknown compute style
-Self-explanatory.
+UNDOCUMENTED
E: Could not find compute_modify ID
@@ -218,4 +226,12 @@ E: Could not find compute ID to delete
Self-explanatory.
+U: Invalid fix style
+
+The choice of fix style is unknown.
+
+U: Invalid compute style
+
+Self-explanatory.
+
*/
diff --git a/src/molecule.h b/src/molecule.h
index a786c0c5d191d4df03a7c2a84263f231e13d33d6..8efd4a3d0276605f28af4b708559cbd472f2ab3a 100644
--- a/src/molecule.h
+++ b/src/molecule.h
@@ -204,6 +204,10 @@ E: Molecule file has special flags but no bonds
Self-explanatory.
+E: Molecule file has bonds but no special flags
+
+UNDOCUMENTED
+
E: Molecule file shake info is incomplete
All 3 SHAKE sections are needed.
diff --git a/src/neighbor.h b/src/neighbor.h
index 8224a97e10a72524b25ada3a1e7cd81ff844cc69..8f938beeb7f1e4986e556ef5a258b212326ede43 100644
--- a/src/neighbor.h
+++ b/src/neighbor.h
@@ -382,6 +382,10 @@ The number of nlocal + nghost atoms on a processor
is limited by the size of a 32-bit integer with 2 bits
removed for masking 1-2, 1-3, 1-4 neighbors.
+E: Trying to build an occasional neighbor list before initialization is completed.
+
+UNDOCUMENTED
+
E: Domain too large for neighbor bins
The domain has become extremely large so that neighbor bins cannot be
diff --git a/src/output.h b/src/output.h
index cda9e800ee4860155dfbba638de19dff7c21c7ff..412387ed6a29cd5d466aeaad4994676a362a94b9 100644
--- a/src/output.h
+++ b/src/output.h
@@ -119,6 +119,10 @@ E: Thermo every variable returned a bad timestep
The variable must return a timestep greater than the current timestep.
+E: Thermo_modify every variable returned a bad timestep
+
+UNDOCUMENTED
+
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
@@ -137,9 +141,9 @@ E: Invalid dump frequency
Dump frequency must be 1 or greater.
-E: Invalid dump style
+E: Unknown dump style
-The choice of dump style is unknown.
+UNDOCUMENTED
E: Cound not find dump_modify ID
@@ -170,4 +174,8 @@ E: Both restart files must use MPI-IO or neither
Self-explanatory.
+U: Invalid dump style
+
+The choice of dump style is unknown.
+
*/
diff --git a/src/pair.h b/src/pair.h
index e7278a0d70c6829c0725bbc7c6c73d7180c62c5c..e9f75f4135d14ce4aa9080422c3e9c17b594db44 100644
--- a/src/pair.h
+++ b/src/pair.h
@@ -273,6 +273,10 @@ 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: Fix adapt interface to this pair style not supported
+
+UNDOCUMENTED
+
E: Pair style requres a KSpace style
Self-explanatory.
diff --git a/src/pair_coul_streitz.h b/src/pair_coul_streitz.h
index bf849f9610cc9664a8142554be84953e8b43af1c..cfef076f4b3038d0f7963bc3c27ca4303fdbb748 100644
--- a/src/pair_coul_streitz.h
+++ b/src/pair_coul_streitz.h
@@ -89,4 +89,44 @@ class PairCoulStreitz : public Pair {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Incorrect args for pair coefficients
+
+UNDOCUMENTED
+
+E: Pair style coul/sm requires atom attribute q
+
+UNDOCUMENTED
+
+E: Pair style requires KSpace style ewald
+
+UNDOCUMENTED
+
+E: All pair coeffs are not set
+
+UNDOCUMENTED
+
+E: Cannot open coul/Streitz potential file %s
+
+UNDOCUMENTED
+
+E: Incorrect format in coul/Streitz potential file
+
+UNDOCUMENTED
+
+E: Illegal coul/Streitz parameter
+
+UNDOCUMENTED
+
+E: Potential file has duplicate entry
+
+UNDOCUMENTED
+
+E: Potential file is missing an entry
+
+UNDOCUMENTED
+
*/
diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h
index 56bf9aa4021adafc7ee84b9e941aab9aced87c7e..291d3498ab72329468ac4e54ecfe34875c58217a 100644
--- a/src/pair_hybrid.h
+++ b/src/pair_hybrid.h
@@ -114,6 +114,10 @@ E: Pair hybrid sub-style does not support single call
You are attempting to invoke a single() call on a pair style
that doesn't support it.
+E: Unknown pair_modify hybrid sub-style
+
+UNDOCUMENTED
+
E: Coulomb cutoffs of pair hybrid sub-styles do not match
If using a Kspace solver, all Coulomb cutoffs of long pair styles must
diff --git a/src/read_data.h b/src/read_data.h
index 685c707b8eddcba27ee8bf695e6807a192c04d05..313adf4728dc3c13abdf5904f71b762cc1e96add 100644
--- a/src/read_data.h
+++ b/src/read_data.h
@@ -100,19 +100,31 @@ 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 ID for read_data does not exist
+
+Self-explanatory.
+
E: Cannot read_data after simulation box is defined
The read_data command cannot be used after a read_data,
read_restart, or create_box command.
+E: Cannot read_data add and merge
+
+UNDOCUMENTED
+
+E: Cannot use non-zero z offset in read_data for 2d simulation
+
+UNDOCUMENTED
+
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
+W: Atom style in data file differs from currently defined atom style
-Self-explanatory.
+UNDOCUMENTED
E: Must read Atoms before Velocities
@@ -190,6 +202,10 @@ E: Must define pair_style before Pair Coeffs
Must use a pair_style command before reading a data file that defines
Pair Coeffs.
+W: Pair style in data file differs from currently defined pair style
+
+UNDOCUMENTED
+
E: Must define pair_style before PairIJ Coeffs
Must use a pair_style command before reading a data file that defines
@@ -204,6 +220,10 @@ E: Must define bond_style before Bond Coeffs
Must use a bond_style command before reading a data file that
defines Bond Coeffs.
+W: Bond style in data file differs from currently defined bond style
+
+UNDOCUMENTED
+
E: Invalid data file section: Angle Coeffs
Atom style does not allow angles.
@@ -213,6 +233,10 @@ E: Must define angle_style before Angle Coeffs
Must use an angle_style command before reading a data file that
defines Angle Coeffs.
+W: Angle style in data file differs from currently defined angle style
+
+UNDOCUMENTED
+
E: Invalid data file section: Dihedral Coeffs
Atom style does not allow dihedrals.
@@ -222,6 +246,10 @@ E: Must define dihedral_style before Dihedral Coeffs
Must use a dihedral_style command before reading a data file that
defines Dihedral Coeffs.
+W: Dihedral style in data file differs from currently defined dihedral style
+
+UNDOCUMENTED
+
E: Invalid data file section: Improper Coeffs
Atom style does not allow impropers.
@@ -231,6 +259,10 @@ E: Must define improper_style before Improper Coeffs
Must use an improper_style command before reading a data file that
defines Improper Coeffs.
+W: Improper style in data file differs from currently defined improper style
+
+UNDOCUMENTED
+
E: Invalid data file section: BondBond Coeffs
Atom style does not allow angles.
@@ -322,6 +354,10 @@ E: Needed bonus data not in data file
Some atom styles require bonus data. See the read_data doc page for
details.
+E: Read_data shrink wrap did not assign all atoms correctly
+
+UNDOCUMENTED
+
E: Unexpected end of data file
LAMMPS hit the end of the data file while attempting to read a
@@ -418,6 +454,26 @@ E: Too many lines in one body in data file - boost MAXBODY
MAXBODY is a setting at the top of the src/read_data.cpp file.
Set it larger and re-compile the code.
+E: Unexpected end of PairCoeffs section
+
+UNDOCUMENTED
+
+E: Unexpected end of BondCoeffs section
+
+UNDOCUMENTED
+
+E: Unexpected end of AngleCoeffs section
+
+UNDOCUMENTED
+
+E: Unexpected end of DihedralCoeffs section
+
+UNDOCUMENTED
+
+E: Unexpected end of ImproperCoeffs section
+
+UNDOCUMENTED
+
E: Cannot open gzipped file
LAMMPS was compiled without support for reading and writing gzipped
diff --git a/src/read_dump.h b/src/read_dump.h
index 95a7306fd5ec1f3f3e18050c5de4f0b4cd2f5894..98789571229c6706f449dc71a0325b25d5e07e69 100644
--- a/src/read_dump.h
+++ b/src/read_dump.h
@@ -113,9 +113,9 @@ E: Dump file does not contain requested snapshot
Self-explanatory.
-E: Invalid dump reader style
+E: Unknown dump reader style
-Self-explanatory.
+UNDOCUMENTED
E: No box information in dump. You have to use 'box no'
@@ -157,4 +157,8 @@ E: If read_dump purges it cannot replace or trim
These operations are not compatible. See the read_dump doc
page for details.
+U: Invalid dump reader style
+
+Self-explanatory.
+
*/
diff --git a/src/read_restart.h b/src/read_restart.h
index bf6a793258a5446acb9ae40470dbbaef3e09d16d..f54f4bdde60eb79e5db997ff064c606fce9a9a69 100644
--- a/src/read_restart.h
+++ b/src/read_restart.h
@@ -99,11 +99,9 @@ E: Invalid flag in peratom section of restart file
The format of this section of the file is not correct.
-E: Did not assign all atoms correctly
+E: Did not assign all restart atoms correctly
-Atoms read in from a data file were not assigned correctly to
-processors. This is likely due to some atom coordinates being
-outside a non-periodic simulation box.
+UNDOCUMENTED
E: Cannot open dir to search for restart file
@@ -216,4 +214,10 @@ E: Restart file byte ordering is not recognized
The file does not appear to be a LAMMPS restart file since it doesn't
contain a recognized byte-orderomg flag at the beginning.
+U: Did not assign all atoms correctly
+
+Atoms read in from a data file were not assigned correctly to
+processors. This is likely due to some atom coordinates being
+outside a non-periodic simulation box.
+
*/
diff --git a/src/rerun.h b/src/rerun.h
index c3b5568550918077c605241108dfe367b4cd8942..348405235760d41eb3ac9ab820676cae38479357 100644
--- a/src/rerun.h
+++ b/src/rerun.h
@@ -52,4 +52,8 @@ E: Rerun dump file does not contain requested snapshot
Self-explanatory.
+E: Read rerun dump file timestep > specified stop
+
+UNDOCUMENTED
+
*/
diff --git a/src/thermo.h b/src/thermo.h
index 17810932fd95f4ba6f706e9b31ed7818979ff895..cb0a8950e1675b956a2c2af5e42f25f50093c715 100644
--- a/src/thermo.h
+++ b/src/thermo.h
@@ -352,9 +352,9 @@ E: Thermo custom variable cannot be indexed
Self-explanatory.
-E: Invalid keyword in thermo_style custom command
+E: Unknown keyword in thermo_style custom command
-One or more specified keywords are not recognized.
+UNDOCUMENTED
E: This variable thermo keyword cannot be used between runs
@@ -393,4 +393,8 @@ 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.
+U: Invalid keyword in thermo_style custom command
+
+One or more specified keywords are not recognized.
+
*/
diff --git a/src/variable.h b/src/variable.h
index 703071da65753aa3ca34f30b70e2dda762deb3e6..2ab3fa969354fa16aa26ae17f08f1e3c2dbdb9ef 100644
--- a/src/variable.h
+++ b/src/variable.h
@@ -166,6 +166,10 @@ E: Atomfile variable could not read values
Check the file assigned to the variable.
+E: LAMMPS is not built with Python embedded
+
+UNDOCUMENTED
+
E: Variable name must be alphanumeric or underscore characters
Self-explanatory.
@@ -187,6 +191,20 @@ E: Next command must list all universe and uloop variables
This is to insure they stay in sync.
+E: Variable has circular dependency
+
+A circular dependency is when variable "a" in used by variable "b" and
+variable "b" is also used by varaible "a". Circular dependencies with
+longer chains of dependence are also not allowed.
+
+E: Python variable does not match Python function
+
+UNDOCUMENTED
+
+E: Python variable has no function
+
+UNDOCUMENTED
+
E: Invalid syntax in variable formula
Self-explanatory.
@@ -254,12 +272,6 @@ E: Invalid variable name in variable formula
Variable name is not recognized.
-E: Variable has circular dependency
-
-A circular dependency is when variable "a" in used by variable "b" and
-variable "b" is also used by varaible "a". Circular dependencies with
-longer chains of dependence are also not allowed.
-
E: Invalid variable evaluation in variable formula
A variable used in a formula could not be evaluated.
@@ -319,6 +331,10 @@ E: Invalid math function in variable formula
Self-explanatory.
+E: Variable name between brackets must be alphanumeric or underscore characters
+
+UNDOCUMENTED
+
E: Non digit character between brackets in variable
Self-explantory.
@@ -399,6 +415,10 @@ an atom index, which is provided by an atom map. An atom map does not
exist (by default) for non-molecular problems. Using the atom_modify
map command will force an atom map to be created.
+E: Variable atom ID is too large
+
+UNDOCUMENTED
+
E: Variable uses atom property that isn't allocated
Self-explanatory.
@@ -412,13 +432,9 @@ E: Atom vector in equal-style variable formula
Atom vectors generate one value per atom which is not allowed
in an equal-style variable.
-E: Expected floating point parameter in variable definition
-
-The quantity being read is a non-numeric value.
-
-E: Expected integer parameter in variable definition
+E: Too many args in variable function
-The quantity being read is a floating point or non-numeric value.
+UNDOCUMENTED
E: Invalid Boolean syntax in if command
@@ -437,4 +453,12 @@ E: Invalid atom ID in variable file
Self-explanatory.
+U: Expected floating point parameter in variable definition
+
+The quantity being read is a non-numeric value.
+
+U: Expected integer parameter in variable definition
+
+The quantity being read is a floating point or non-numeric value.
+
*/
diff --git a/src/velocity.h b/src/velocity.h
index fb109b449a87e5a2d093009d923a836d9435693c..21530115cff793bc0fe999c8c12924f14e6b5817 100644
--- a/src/velocity.h
+++ b/src/velocity.h
@@ -140,4 +140,12 @@ E: Fix ID for velocity does not exist
Self-explanatory.
+E: Cannot use velocity bias command without temp keyword
+
+UNDOCUMENTED
+
+E: Velocity temperature ID does calculate a velocity bias
+
+UNDOCUMENTED
+
*/
diff --git a/src/write_dump.h b/src/write_dump.h
index 7695d2117d897d17ba664a11350b28c2defa7249..12742be1fcf5f6069b1e7dbd23f307b764d2dc18 100644
--- a/src/write_dump.h
+++ b/src/write_dump.h
@@ -43,7 +43,11 @@ 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: Invalid dump style
+E: Unknown dump style
+
+UNDOCUMENTED
+
+U: Invalid dump style
The choice of dump style is unknown.