diff --git a/src/ASPHERE/compute_temp_asphere.h b/src/ASPHERE/compute_temp_asphere.h
index 2295d81d13165bddc9985aaaa4886325912c8092..0151ff99614897d1cff4d7308361da211c987f22 100755
--- a/src/ASPHERE/compute_temp_asphere.h
+++ b/src/ASPHERE/compute_temp_asphere.h
@@ -84,4 +84,8 @@ E: Bias compute group does not match compute group
The specified compute must operate on the same group as the parent
compute.
+E: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/ASPHERE/pair_line_lj.h b/src/ASPHERE/pair_line_lj.h
index 0eb5bb0e098ccd1feb58c2c1527316879f0108cf..4867422bafa603f7702d91ec7ffa8dd748e954b1 100644
--- a/src/ASPHERE/pair_line_lj.h
+++ b/src/ASPHERE/pair_line_lj.h
@@ -79,4 +79,8 @@ E: Pair line/lj requires atom style line
Self-explanatory.
+E: All pair coeffs are not set
+
+UNDOCUMENTED
+
*/
diff --git a/src/BODY/body_nparticle.h b/src/BODY/body_nparticle.h
index 8d6fb27bf609e5041b9ca0db5fb294af9d69a31b..c81aa288d9b643f42b17dec4dbf060df3eeca54e 100644
--- a/src/BODY/body_nparticle.h
+++ b/src/BODY/body_nparticle.h
@@ -59,11 +59,6 @@ E: Invalid body nparticle command
Arguments in atom-style command are not correct.
-E: Invalid format in Bodies section of data file
-
-The specified number of integer or floating point values does not
-appear.
-
E: Incorrect # of integer values in Bodies section of data file
See doc page for body style.
@@ -80,4 +75,9 @@ E: Insufficient Jacobi rotations for body nparticle
Eigensolve for rigid body was not sufficiently accurate.
+U: Invalid format in Bodies section of data file
+
+The specified number of integer or floating point values does not
+appear.
+
*/
diff --git a/src/COMPRESS/dump_atom_gz.h b/src/COMPRESS/dump_atom_gz.h
index 304d37c7904bc23ce6302f8861f6c0ef496ac58f..57897b0c8ccc52a9f377553dee53d016d054f9b6 100644
--- a/src/COMPRESS/dump_atom_gz.h
+++ b/src/COMPRESS/dump_atom_gz.h
@@ -50,4 +50,8 @@ E: Dump atom/gz only writes compressed files
The dump atom/gz output file name must have a .gz suffix.
+E: Cannot open dump file
+
+UNDOCUMENTED
+
*/
diff --git a/src/COMPRESS/dump_cfg_gz.h b/src/COMPRESS/dump_cfg_gz.h
index 58d8f09df458d5df02e133328acf5138467d2555..7da426e6c8af6b3fcd523ae6681d9c36034b8849 100644
--- a/src/COMPRESS/dump_cfg_gz.h
+++ b/src/COMPRESS/dump_cfg_gz.h
@@ -50,4 +50,8 @@ E: Dump cfg/gz only writes compressed files
The dump cfg/gz output file name must have a .gz suffix.
+E: Cannot open dump file
+
+UNDOCUMENTED
+
*/
diff --git a/src/COMPRESS/dump_custom_gz.h b/src/COMPRESS/dump_custom_gz.h
index 83cb6811ad34a10115b8e4569d474179e8c90ef4..fab5826d4643429da258bd2336a7c9c68401f1d6 100644
--- a/src/COMPRESS/dump_custom_gz.h
+++ b/src/COMPRESS/dump_custom_gz.h
@@ -50,4 +50,8 @@ E: Dump custom/gz only writes compressed files
The dump custom/gz output file name must have a .gz suffix.
+E: Cannot open dump file
+
+UNDOCUMENTED
+
*/
diff --git a/src/COMPRESS/dump_xyz_gz.h b/src/COMPRESS/dump_xyz_gz.h
index cf2a4323c4817f6a1ae23c1893a7f566873ac6e0..b8aff215cfb373ec648a9577dff6cdaf1593c882 100644
--- a/src/COMPRESS/dump_xyz_gz.h
+++ b/src/COMPRESS/dump_xyz_gz.h
@@ -50,4 +50,8 @@ E: Dump xyz/gz only writes compressed files
The dump xyz/gz output file name must have a .gz suffix.
+E: Cannot open dump file
+
+UNDOCUMENTED
+
*/
diff --git a/src/CORESHELL/compute_temp_cs.h b/src/CORESHELL/compute_temp_cs.h
index eb93e0dc2f3866a624c6e34e030b5cff51470228..d54b2d0ee75db63c8c6cef25a871ad3641b665b6 100644
--- a/src/CORESHELL/compute_temp_cs.h
+++ b/src/CORESHELL/compute_temp_cs.h
@@ -101,4 +101,8 @@ E: Core/shell partners were not all found
Could not find or more atoms in the bond pairs.
+E: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/GPU/pair_eam_alloy_gpu.h b/src/GPU/pair_eam_alloy_gpu.h
index e19fd0c262dc26b38b54ad6dc659a80dcfa9c3c8..1c893363dd0c4789952842e1ecf2d3cce807b50e 100644
--- a/src/GPU/pair_eam_alloy_gpu.h
+++ b/src/GPU/pair_eam_alloy_gpu.h
@@ -56,6 +56,14 @@ public:
/* ERROR/WARNING messages:
+E: Insufficient memory on accelerator
+
+UNDOCUMENTED
+
+E: Cannot use newton pair with eam/alloy/gpu pair style
+
+UNDOCUMENTED
+
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
diff --git a/src/GPU/pair_eam_fs_gpu.h b/src/GPU/pair_eam_fs_gpu.h
index 9ef436c3fe4d0a12e8df5707f5418803ef0e4f23..0d038ea91cd12e61aa95017858670747b5f65518 100644
--- a/src/GPU/pair_eam_fs_gpu.h
+++ b/src/GPU/pair_eam_fs_gpu.h
@@ -56,6 +56,14 @@ public:
/* ERROR/WARNING messages:
+E: Insufficient memory on accelerator
+
+UNDOCUMENTED
+
+E: Cannot use newton pair with eam/fs/gpu pair style
+
+UNDOCUMENTED
+
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
diff --git a/src/GPU/pair_lj_cubic_gpu.h b/src/GPU/pair_lj_cubic_gpu.h
index 222cdb650128b2414a839d140c498a93e8488559..99f85f09584fa0826397245a2e4a2db273b455e1 100644
--- a/src/GPU/pair_lj_cubic_gpu.h
+++ b/src/GPU/pair_lj_cubic_gpu.h
@@ -51,7 +51,11 @@ E: Insufficient memory on accelerator
There is insufficient memory on one of the devices specified for the gpu
package
-E: Cannot use newton pair with lj/cut/gpu pair style
+E: Cannot use newton pair with lj/cubic/gpu pair style
+
+UNDOCUMENTED
+
+U: Cannot use newton pair with lj/cut/gpu pair style
Self-explanatory.
diff --git a/src/GPU/pair_tersoff_gpu.h b/src/GPU/pair_tersoff_gpu.h
index 5b7ba93f29c79894b864cdd61be28da0528e3eac..b7d384e043005915c851676e4f77a0bff4aa6d46 100644
--- a/src/GPU/pair_tersoff_gpu.h
+++ b/src/GPU/pair_tersoff_gpu.h
@@ -54,6 +54,10 @@ E: Insufficient memory on accelerator
There is insufficient memory on one of the devices specified for the gpu
package
+E: Pair style tersoff/gpu requires atom IDs
+
+UNDOCUMENTED
+
E: Pair style tersoff/gpu requires newton pair off
See the newton command. This is a restriction to use this pair style.
@@ -64,4 +68,3 @@ All pair coefficients must be set in the data file or by the
pair_coeff command before running a simulation.
*/
-
diff --git a/src/GPU/pair_zbl_gpu.h b/src/GPU/pair_zbl_gpu.h
index f7a28870bce4fccd02ec071066157ac2bcb14bbc..3255e6e0439c5ded79125c2941ab851706e190d4 100644
--- a/src/GPU/pair_zbl_gpu.h
+++ b/src/GPU/pair_zbl_gpu.h
@@ -51,7 +51,11 @@ E: Insufficient memory on accelerator
There is insufficient memory on one of the devices specified for the gpu
package
-E: Cannot use newton pair with gauss/gpu pair style
+E: Cannot use newton pair with zbl/gpu pair style
+
+UNDOCUMENTED
+
+U: Cannot use newton pair with gauss/gpu pair style
Self-explanatory.
diff --git a/src/GRANULAR/pair_gran_hooke_history.h b/src/GRANULAR/pair_gran_hooke_history.h
index 9bce0f1e15eeac2160324e50064a90de4a751b3f..493dc39e0765c127a9caa051f97543dc51d4e11d 100644
--- a/src/GRANULAR/pair_gran_hooke_history.h
+++ b/src/GRANULAR/pair_gran_hooke_history.h
@@ -83,9 +83,9 @@ E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
-E: Pair granular requires atom style sphere
+E: Pair granular requires atom atrributes radius, rmass
-Self-explanatory.
+UNDOCUMENTED
E: Pair granular requires ghost atoms store velocity
@@ -96,4 +96,12 @@ E: Pair granular with shear history requires newton pair off
This is a current restriction of the implementation of pair
granular styles with history.
+E: Could not find pair fix ID
+
+UNDOCUMENTED
+
+U: Pair granular requires atom style sphere
+
+Self-explanatory.
+
*/
diff --git a/src/KOKKOS/atom_kokkos.h b/src/KOKKOS/atom_kokkos.h
index e71c4377fb084ccb3d7faf6510c374798a644122..53f0b91f5f1f75df0dc65c31f9a0d538451a0f79 100644
--- a/src/KOKKOS/atom_kokkos.h
+++ b/src/KOKKOS/atom_kokkos.h
@@ -110,4 +110,8 @@ class SortFunctor {
/* ERROR/WARNING messages:
+E: KOKKOS package requires a kokkos enabled atom_style
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/compute_temp_kokkos.h b/src/KOKKOS/compute_temp_kokkos.h
index 9cdb87c8b9fd58a575e6a93e68f3fc0fe770de7b..e33eb2bca24d1bfde848d17c60d99465c6e0367b 100755
--- a/src/KOKKOS/compute_temp_kokkos.h
+++ b/src/KOKKOS/compute_temp_kokkos.h
@@ -98,7 +98,11 @@ class ComputeTempKokkos : public ComputeTemp {
/* ERROR/WARNING messages:
-E: Illegal ... command
+E: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
+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
diff --git a/src/KOKKOS/domain_kokkos.h b/src/KOKKOS/domain_kokkos.h
index bc3fc20c94020404b5767d4a349c3091c4085f84..96dd75fdecd6e0dd22e237dd3be291872778e614 100644
--- a/src/KOKKOS/domain_kokkos.h
+++ b/src/KOKKOS/domain_kokkos.h
@@ -63,4 +63,8 @@ class DomainKokkos : public Domain {
/* ERROR/WARNING messages:
+E: Illegal simulation box
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/fix_deform_kokkos.h b/src/KOKKOS/fix_deform_kokkos.h
index cd6507a92a14cba847a209508e6282002f83020d..f0330046b5f4e43234b3440e34e46ffd8609598c 100755
--- a/src/KOKKOS/fix_deform_kokkos.h
+++ b/src/KOKKOS/fix_deform_kokkos.h
@@ -44,58 +44,62 @@ class FixDeformKokkos : public FixDeform {
/* ERROR/WARNING messages:
-E: Illegal ... command
+E: Cannot (yet) use rigid bodies with fix deform and Kokkos
+
+UNDOCUMENTED
+
+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: Fix deform tilt factors require triclinic box
+U: Fix deform tilt factors require triclinic box
Cannot deform the tilt factors of a simulation box unless it
is a triclinic (non-orthogonal) box.
-E: Cannot use fix deform on a shrink-wrapped boundary
+U: Cannot use fix deform on a shrink-wrapped boundary
The x, y, z options cannot be applied to shrink-wrapped
dimensions.
-E: Cannot use fix deform tilt on a shrink-wrapped 2nd dim
+U: 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: Fix deform volume setting is invalid
+U: Fix deform volume setting is invalid
Cannot use volume style unless other dimensions are being controlled.
-E: More than one fix deform
+U: More than one fix deform
Only one fix deform can be defined at a time.
-E: Variable name for fix deform does not exist
+U: Variable name for fix deform does not exist
Self-explantory.
-E: Variable for fix deform is invalid style
+U: Variable for fix deform is invalid style
The variable must be an equal-style variable.
-E: Final box dimension due to fix deform is < 0.0
+U: Final box dimension due to fix deform is < 0.0
Self-explanatory.
-E: Cannot use fix deform trate on a box with zero tilt
+U: Cannot use fix deform trate on a box with zero tilt
The trate style alters the current strain.
-E: Fix deform cannot use yz variable with xy
+U: Fix deform cannot use yz variable with xy
The yz setting cannot be a variable if xy deformation is also
specified. This is because LAMMPS cannot determine if the yz setting
will induce a box flip which would be invalid if xy is also changing.
-E: Fix deform is changing yz too much with xy
+U: Fix deform is changing yz too much with xy
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
diff --git a/src/KOKKOS/fix_nh_kokkos.h b/src/KOKKOS/fix_nh_kokkos.h
index 61f3918e7234b536d0e596a00d8101321998602f..5777824abb99f8190b70d94fe752a6ab267b89b9 100755
--- a/src/KOKKOS/fix_nh_kokkos.h
+++ b/src/KOKKOS/fix_nh_kokkos.h
@@ -83,4 +83,12 @@ class FixNHKokkos : public FixNH {
/* ERROR/WARNING messages:
+E: Cannot (yet) use rigid bodies with fix nh and Kokkos
+
+UNDOCUMENTED
+
+E: Fix npt/nph has tilted box too far in one step - periodic cell is too far from equilibrium state
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/fix_nph_kokkos.h b/src/KOKKOS/fix_nph_kokkos.h
index 86f3dd0ee3c95b84ad18efef93778632acab1c5a..04519ddbabaa87ef82771fbb2ecbeb2f1047adc4 100755
--- a/src/KOKKOS/fix_nph_kokkos.h
+++ b/src/KOKKOS/fix_nph_kokkos.h
@@ -40,4 +40,12 @@ class FixNPHKokkos : public FixNHKokkos<DeviceType> {
/* ERROR/WARNING messages:
+E: Temperature control can not be used with fix nph
+
+UNDOCUMENTED
+
+E: Pressure control must be used with fix nph
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/fix_npt_kokkos.h b/src/KOKKOS/fix_npt_kokkos.h
index eddd34669baa416c3d3766fc16e9e1e89c95a25b..e902e955e73922b5faac29c67bbf9d06c1fc1c15 100755
--- a/src/KOKKOS/fix_npt_kokkos.h
+++ b/src/KOKKOS/fix_npt_kokkos.h
@@ -40,4 +40,12 @@ class FixNPTKokkos : public FixNHKokkos<DeviceType> {
/* ERROR/WARNING messages:
+E: Temperature control must be used with fix npt
+
+UNDOCUMENTED
+
+E: Pressure control must be used with fix npt
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/fix_nvt_kokkos.h b/src/KOKKOS/fix_nvt_kokkos.h
index 5f6eb5c24dcdb27e4ef0a18ff27e8d9885ba0612..decf314db6c0ca69e01dd884d63f73172bf677f6 100755
--- a/src/KOKKOS/fix_nvt_kokkos.h
+++ b/src/KOKKOS/fix_nvt_kokkos.h
@@ -41,4 +41,12 @@ class FixNVTKokkos : public FixNHKokkos<DeviceType> {
/* ERROR/WARNING messages:
+E: Temperature control must be used with fix nvt
+
+UNDOCUMENTED
+
+E: Pressure control can not be used with fix nvt
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/kokkos.h b/src/KOKKOS/kokkos.h
index 5ccf721e649d6fa87e228684dfe29018c3b3f67e..3f86a7bac66124cab78352f6dcb917af5c7b7be3 100644
--- a/src/KOKKOS/kokkos.h
+++ b/src/KOKKOS/kokkos.h
@@ -47,6 +47,14 @@ E: Invalid Kokkos command-line args
Self-explanatory. See Section 2.7 of the manual for details.
+E: GPUs are requested but Kokkos has not been compiled for CUDA
+
+UNDOCUMENTED
+
+E: Kokkos has been compiled for CUDA but no GPUs are requested
+
+UNDOCUMENTED
+
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
diff --git a/src/KOKKOS/neighbor_kokkos.h b/src/KOKKOS/neighbor_kokkos.h
index 17e9176bfb0cb3fc21294c4faaa1dde52394df4b..955a7b1426d68950032aaf0d11a30f9581305014 100644
--- a/src/KOKKOS/neighbor_kokkos.h
+++ b/src/KOKKOS/neighbor_kokkos.h
@@ -433,14 +433,14 @@ class NeighborKokkos : public Neighbor {
/* ERROR/WARNING messages:
+E: Cannot (yet) request ghost atoms with Kokkos half neighbor list
+
+This feature is not yet supported.
+
E: Too many local+ghost atoms for neighbor list
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: Cannot (yet) request ghost atoms with Kokkos half neighbor list
-
-This feature is not yet supported.
-
*/
diff --git a/src/KOKKOS/pair_buck_coul_cut_kokkos.h b/src/KOKKOS/pair_buck_coul_cut_kokkos.h
index 41f34b3354adcdb2ed84daa0ece225e70eb7c334..4cca6cb85aab0cc1fd38b164050b774e3c59e940 100644
--- a/src/KOKKOS/pair_buck_coul_cut_kokkos.h
+++ b/src/KOKKOS/pair_buck_coul_cut_kokkos.h
@@ -131,4 +131,16 @@ class PairBuckCoulCutKokkos : public PairBuckCoulCut {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with buck/coul/cut/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_buck_coul_long_kokkos.h b/src/KOKKOS/pair_buck_coul_long_kokkos.h
index 55f746ec6dccd99d2c4af40fae4eb849c8dece04..df2c57c4b044dcbe255711e8788ea22221b78483 100644
--- a/src/KOKKOS/pair_buck_coul_long_kokkos.h
+++ b/src/KOKKOS/pair_buck_coul_long_kokkos.h
@@ -147,4 +147,16 @@ class PairBuckCoulLongKokkos : public PairBuckCoulLong {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with buck/coul/long/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_coul_debye_kokkos.h b/src/KOKKOS/pair_coul_debye_kokkos.h
index 8e6095401a56504244629fa72406324d666d068e..d0a9997666fb29f97d2f9412a9d76a6ea8fa441e 100644
--- a/src/KOKKOS/pair_coul_debye_kokkos.h
+++ b/src/KOKKOS/pair_coul_debye_kokkos.h
@@ -132,4 +132,16 @@ class PairCoulDebyeKokkos : public PairCoulDebye {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with coul/debye/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_coul_long_kokkos.h b/src/KOKKOS/pair_coul_long_kokkos.h
index c546a10a287c8833b7c1ba19a380099c1e31e834..5a5ee63a0aedc2aeb1731e78a9f9fe640a103405 100644
--- a/src/KOKKOS/pair_coul_long_kokkos.h
+++ b/src/KOKKOS/pair_coul_long_kokkos.h
@@ -151,4 +151,16 @@ class PairCoulLongKokkos : public PairCoulLong {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with buck/coul/long/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.h b/src/KOKKOS/pair_eam_alloy_kokkos.h
index 1187dc0a2d3b42f19b04916d788c140ab4f0eedb..65ad14303fa9bf1a2ac2a2ee782536721dcff838 100755
--- a/src/KOKKOS/pair_eam_alloy_kokkos.h
+++ b/src/KOKKOS/pair_eam_alloy_kokkos.h
@@ -180,4 +180,20 @@ E: Cannot use chosen neighbor list style with pair eam/kk/alloy
That style is not supported by Kokkos.
+E: Incorrect args for pair coefficients
+
+UNDOCUMENTED
+
+E: No matching element in EAM potential file
+
+UNDOCUMENTED
+
+E: Cannot open EAM potential file %s
+
+UNDOCUMENTED
+
+E: Incorrect element names in EAM potential file
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_eam_fs_kokkos.h b/src/KOKKOS/pair_eam_fs_kokkos.h
index 4ac00939883549e582de8df273ab4346045f20ad..0ee514a6d8b11679373da39883f3923194f32d8d 100755
--- a/src/KOKKOS/pair_eam_fs_kokkos.h
+++ b/src/KOKKOS/pair_eam_fs_kokkos.h
@@ -180,4 +180,20 @@ E: Cannot use chosen neighbor list style with pair eam/kk/fs
That style is not supported by Kokkos.
+E: Incorrect args for pair coefficients
+
+UNDOCUMENTED
+
+E: No matching element in EAM potential file
+
+UNDOCUMENTED
+
+E: Cannot open EAM potential file %s
+
+UNDOCUMENTED
+
+E: Incorrect element names in EAM potential file
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h
index 0174d557681b365f9f4660150069f22201010c4e..458306875cb603a052bdd8ec2f30ad8e2ee1224f 100644
--- a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h
+++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h
@@ -148,4 +148,16 @@ class PairLJCharmmCoulCharmmImplicitKokkos : public PairLJCharmmCoulCharmmImplic
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/charmm/coul/charmm/implicit/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h
index 34134fd520f03a9819da5f9655132a377a6213d3..a501961c3775ef66375371d2e96649b39851086c 100644
--- a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h
+++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h
@@ -148,4 +148,16 @@ class PairLJCharmmCoulCharmmKokkos : public PairLJCharmmCoulCharmm {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/charmm/coul/charmm/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h
index 7ecf19ffb23ca7a5f8c003e2386883bbebcc5d31..e74aee1284cdc5cc25eac02618aef567e026a72d 100644
--- a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h
+++ b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h
@@ -147,4 +147,12 @@ class PairLJCharmmCoulLongKokkos : public PairLJCharmmCoulLong {
/* ERROR/WARNING messages:
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/charmm/coul/long/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h
index 7126864a8a158a57d5650eccfbf4f5caab00a217..5cfacd2ec242848053a23f0cf13824bce43c999f 100644
--- a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h
+++ b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h
@@ -127,4 +127,16 @@ class PairLJClass2CoulCutKokkos : public PairLJClass2CoulCut {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/class2/coul/cut/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h
index b376906e49261645aacaf699c5808ae2954e5293..98e0563989ac0a5b29bd2ce60ba8268f76e09c8e 100644
--- a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h
+++ b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h
@@ -144,4 +144,16 @@ class PairLJClass2CoulLongKokkos : public PairLJClass2CoulLong {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/class2/coul/long/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_class2_kokkos.h b/src/KOKKOS/pair_lj_class2_kokkos.h
index 8d604fca1abfeae296b838c4f469b1065ca9ed69..457a663e7af0d580e549d04c774a1d36162b63c0 100644
--- a/src/KOKKOS/pair_lj_class2_kokkos.h
+++ b/src/KOKKOS/pair_lj_class2_kokkos.h
@@ -121,4 +121,16 @@ class PairLJClass2Kokkos : public PairLJClass2 {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/class2/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h
index 6195fee90e550ec3ff8f4aa907d7d0ee1d3e76ea..ac32decb1028f872de236aa27e9e1790bfd987de 100644
--- a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h
+++ b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h
@@ -128,4 +128,16 @@ class PairLJCutCoulDebyeKokkos : public PairLJCutCoulDebye {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/cut/coul/debye/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h
index 4ce73f4a943d6489d47937a838d856c809cf029d..7c85a8c1a29940e1aae3dd595779a9dac5f8d66b 100644
--- a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h
+++ b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h
@@ -127,4 +127,12 @@ class PairLJCutCoulDSFKokkos : public PairLJCutCoulDSF {
/* ERROR/WARNING messages:
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/cut/coul/cut/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_expand_kokkos.h b/src/KOKKOS/pair_lj_expand_kokkos.h
index 1e7f57befd3ca74218087ccf10696e69764af278..f7101fa9631f0032f6be15daa26cea3e2f5566ec 100644
--- a/src/KOKKOS/pair_lj_expand_kokkos.h
+++ b/src/KOKKOS/pair_lj_expand_kokkos.h
@@ -122,4 +122,16 @@ class PairLJExpandKokkos : public PairLJExpand {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/expand/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h
index 3a69ba1172454ee592761c41a50715b0404a29e9..737e140367d78252e17fb49fb80d9d39b41d2d44 100644
--- a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h
+++ b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h
@@ -148,4 +148,16 @@ class PairLJGromacsCoulGromacsKokkos : public PairLJGromacsCoulGromacs {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/gromacs/coul/gromacs/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_lj_gromacs_kokkos.h b/src/KOKKOS/pair_lj_gromacs_kokkos.h
index fd00a35d4e1617e2d937e48a3315d076d418cca6..aeb2f814d0e6a2d6e70d42dabe941e031dcdf641 100644
--- a/src/KOKKOS/pair_lj_gromacs_kokkos.h
+++ b/src/KOKKOS/pair_lj_gromacs_kokkos.h
@@ -150,4 +150,16 @@ class PairLJGromacsKokkos : public PairLJGromacs {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with lj/gromacs/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_sw_kokkos.h b/src/KOKKOS/pair_sw_kokkos.h
index 5b2f1bb543197d52d730dae866a09d0aefde87a7..e8fd39f6e17b5330662b193979e00bb4b7c48ce6 100755
--- a/src/KOKKOS/pair_sw_kokkos.h
+++ b/src/KOKKOS/pair_sw_kokkos.h
@@ -147,4 +147,8 @@ class PairSWKokkos : public PairSW {
/* ERROR/WARNING messages:
+E: Cannot use chosen neighbor list style with pair sw/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_tersoff_kokkos.h b/src/KOKKOS/pair_tersoff_kokkos.h
index b295c5946e307fc26cc446ce58f59d638f64fe33..768d6b76695191a299822a54ba0bd180d82e80cd 100755
--- a/src/KOKKOS/pair_tersoff_kokkos.h
+++ b/src/KOKKOS/pair_tersoff_kokkos.h
@@ -217,4 +217,8 @@ class PairTersoffKokkos : public PairTersoff {
/* ERROR/WARNING messages:
+E: Cannot use chosen neighbor list style with tersoff/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_tersoff_mod_kokkos.h b/src/KOKKOS/pair_tersoff_mod_kokkos.h
index ac6658489c2fdaad8ba0a9f91ebcc7bea2a6b9e5..f74120ee3294ba53a432de0b7c7c048e32de4507 100755
--- a/src/KOKKOS/pair_tersoff_mod_kokkos.h
+++ b/src/KOKKOS/pair_tersoff_mod_kokkos.h
@@ -217,4 +217,8 @@ class PairTersoffMODKokkos : public PairTersoffMOD {
/* ERROR/WARNING messages:
+E: Cannot use chosen neighbor list style with tersoff/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KOKKOS/pair_tersoff_zbl_kokkos.h b/src/KOKKOS/pair_tersoff_zbl_kokkos.h
index 63a11b603c4637c6259dbff656bbac44dbe03cb4..54098e1bb8229e670c661675abf4a5496a3edf64 100755
--- a/src/KOKKOS/pair_tersoff_zbl_kokkos.h
+++ b/src/KOKKOS/pair_tersoff_zbl_kokkos.h
@@ -228,4 +228,12 @@ class PairTersoffZBLKokkos : public PairTersoffZBL {
/* ERROR/WARNING messages:
+E: Pair tersoff/zbl/kk requires metal or real units
+
+UNDOCUMENTED
+
+E: Cannot use chosen neighbor list style with tersoff/zbl/kk
+
+UNDOCUMENTED
+
*/
diff --git a/src/KSPACE/ewald_disp.h b/src/KSPACE/ewald_disp.h
index 84bf3b0e59c9d92f3da020e29cbd84fb1407012f..0d0385a6216b77061940ea2eb3e153a144719bd4 100644
--- a/src/KSPACE/ewald_disp.h
+++ b/src/KSPACE/ewald_disp.h
@@ -143,8 +143,8 @@ solver/pair style.
W: System is not charge neutral, net charge = %g
-The total charge on all atoms on the system is not 0.0, which
-is not valid for the long-range Coulombic solvers.
+The total charge on all atoms on the system is not 0.0.
+For some KSpace solvers this is only a warning.
W: Ewald/disp Newton solver failed, using old method to estimate g_ewald
diff --git a/src/MANYBODY/pair_bop.h b/src/MANYBODY/pair_bop.h
index 28be43fc72636ef2ed8b8a073437e9f74277f398..dca77b603137a5e75eeee0e65a3ba189d4d4cca8 100644
--- a/src/MANYBODY/pair_bop.h
+++ b/src/MANYBODY/pair_bop.h
@@ -282,4 +282,8 @@ E: Cannot open BOP potential file %s
The specified BOP potential file cannot be opened. Check that the
path and name are correct.
+E: Incorrect table format check for element types
+
+UNDOCUMENTED
+
*/
diff --git a/src/MANYBODY/pair_polymorphic.h b/src/MANYBODY/pair_polymorphic.h
index 1d4b886a40bc95ab22007602dfb26bfe9ecf99a8..4c70ca763025b2e4433e79149a8ba8dba8bfb9b8 100755
--- a/src/MANYBODY/pair_polymorphic.h
+++ b/src/MANYBODY/pair_polymorphic.h
@@ -317,3 +317,43 @@ class PairPolymorphic : public Pair {
#endif
#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+UNDOCUMENTED
+
+E: Incorrect args for pair coefficients
+
+UNDOCUMENTED
+
+E: Pair style polymorphic requires atom IDs
+
+UNDOCUMENTED
+
+E: Pair style polymorphic requires newton pair on
+
+UNDOCUMENTED
+
+E: All pair coeffs are not set
+
+UNDOCUMENTED
+
+E: Cannot open polymorphic potential file %s
+
+UNDOCUMENTED
+
+E: Incorrect number of elements in potential file
+
+UNDOCUMENTED
+
+E: Element not defined in potential file
+
+UNDOCUMENTED
+
+E: Test potential tables
+
+UNDOCUMENTED
+
+*/
diff --git a/src/MANYBODY/pair_vashishta.h b/src/MANYBODY/pair_vashishta.h
index 733469c6b3359a3bb901d4896aa7407bc045e2ad..cdd2da347142ad0a65365efbde1595b0fdfc14d6 100755
--- a/src/MANYBODY/pair_vashishta.h
+++ b/src/MANYBODY/pair_vashishta.h
@@ -110,12 +110,10 @@ invalid.
E: Potential file has duplicate entry
-The potential file for a Vashishta or Tersoff potential has more than
-one entry for the same 3 ordered elements.
+The potential file has more than one entry for the same element.
E: Potential file is missing an entry
-The potential file for a Vashishta or Tersoff potential does not have a
-needed entry.
+The potential file does not have a needed entry.
*/
diff --git a/src/MC/fix_atom_swap.h b/src/MC/fix_atom_swap.h
index 066b0a3c8a9afa11fa6d3325457c005f1864dc4b..1c411859a345e9163852752c38eb6fd2bd636a3f 100644
--- a/src/MC/fix_atom_swap.h
+++ b/src/MC/fix_atom_swap.h
@@ -133,6 +133,10 @@ E: At least one atom of each swapped type must be present to define charges.
Self-explanatory.
+E: All atoms of a swapped type must have same charge.
+
+UNDOCUMENTED
+
E: Cannot do atom/swap on atoms in atom_modify first group
This is a restriction due to the way atoms are organized in a list to
diff --git a/src/MC/fix_gcmc.h b/src/MC/fix_gcmc.h
index 668ce5a1edbe834bbcc6999eed9d17e50028e8c0..7f6cd6c5c97df856b7ad642355d40f3fbd4e65b1 100644
--- a/src/MC/fix_gcmc.h
+++ b/src/MC/fix_gcmc.h
@@ -178,11 +178,19 @@ E: Atom type must be zero in fix gcmc mol command
Self-explanatory.
+E: Fix gcmc molecule has charges, but atom style does not
+
+UNDOCUMENTED
+
E: Fix gcmc molecule template ID must be same as atom_style template ID
When using atom_style template, you cannot insert molecules that are
not in that template.
+E: Fix gcmc atom has charge, but atom style does not
+
+UNDOCUMENTED
+
E: Cannot use fix gcmc shake and not molecule
Self-explanatory.
@@ -257,10 +265,17 @@ E: Illegal fix gcmc gas mass <= 0
The computed mass of the designated gas molecule or atom type was less
than or equal to zero.
-E: Cannot do gcmc on atoms in atom_modify first group
+E: Cannot do GCMC on atoms in atom_modify first group
-This is a restriction due to the way atoms are organized in a list to
-enable the atom_modify first command.
+UNDOCUMENTED
+
+E: Could not find specified fix gcmc group ID
+
+UNDOCUMENTED
+
+E: Fix gcmc put atom outside box
+
+UNDOCUMENTED
E: Fix gcmc ran out of available molecule IDs
@@ -274,4 +289,9 @@ E: Too many total atoms
See the setting for bigint in the src/lmptype.h file.
+U: Cannot do gcmc on atoms in atom_modify first group
+
+This is a restriction due to the way atoms are organized in a list to
+enable the atom_modify first command.
+
*/
diff --git a/src/MISC/fix_deposit.h b/src/MISC/fix_deposit.h
index ea047bd518ecb0bae978f3c7d7d0aec917504b9c..8cf19d128dd7c0d4c19edffcc9e29c29d112968e 100644
--- a/src/MISC/fix_deposit.h
+++ b/src/MISC/fix_deposit.h
@@ -153,6 +153,10 @@ E: Fix deposit and fix shake not using same molecule template ID
Self-explanatory.
+W: Fix deposit near setting < possible overlap separation %g
+
+UNDOCUMENTED
+
W: Particle deposition was unsuccessful
The fix deposit command was not able to insert as many atoms as
diff --git a/src/REAX/pair_reax.h b/src/REAX/pair_reax.h
index 5f103e4eabd5925f5b7e3630697d79a8f226e34c..7ee00af62a0925a5696ebfebed0f1801f95b7f14 100644
--- a/src/REAX/pair_reax.h
+++ b/src/REAX/pair_reax.h
@@ -97,6 +97,10 @@ class PairREAX : public Pair {
/* ERROR/WARNING messages:
+W: pair style reax is now deprecated and will soon be retired. Users should switch to pair_style reax/c
+
+Self-explanatory.
+
E: Reax_defs.h setting for NATDEF is too small
Edit the setting in the ReaxFF library and re-compile the
@@ -143,8 +147,4 @@ E: Invalid REAX atom type
There is a mis-match between LAMMPS atom types and the elements
listed in the ReaxFF force field file.
-W: pair style reax is now deprecated and will soon be retired. Users should switch to pair_style reax/c
-
-Self-explanatory.
-
*/
diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h
index 96c8f4e4dcccd6845ef968c5ba2d5b7dc66289b9..22f8665ac7fc8fabe42005a06318189604ce9b62 100644
--- a/src/RIGID/fix_rigid_small.h
+++ b/src/RIGID/fix_rigid_small.h
@@ -256,10 +256,9 @@ 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: Cannot count rigid body degrees-of-freedom before bodies are fully initialized h
+W: Cannot count rigid body degrees-of-freedom before bodies are fully initialized
-This means the temperature associated with the rigid bodies may be
-incorrect on this timestep.
+UNDOCUMENTED
W: Computing temperature of portions of rigid bodies
@@ -272,6 +271,10 @@ E: Fix rigid/small atom has non-zero image flag in a non-periodic dimension
Image flags for non-periodic dimensions should not be set.
+E: One or more rigid bodies are a single particle
+
+UNDOCUMENTED
+
E: Inconsistent use of finite-size particles by molecule template molecules
Not all of the molecules define a radius for their constituent
@@ -317,4 +320,9 @@ cutoff command to insure ghost atoms are acquired from far enough away
to encompass the max distance printed when the fix rigid/small command
was invoked.
+U: Cannot count rigid body degrees-of-freedom before bodies are fully initialized h
+
+This means the temperature associated with the rigid bodies may be
+incorrect on this timestep.
+
*/
diff --git a/src/atom.h b/src/atom.h
index 39611adf9edd8c1e571a2c5910a2014dd76c682a..4ff4d9c1c5111f9bb5c4d4ba86c02a1e64ae5770 100644
--- a/src/atom.h
+++ b/src/atom.h
@@ -360,23 +360,29 @@ E: Atom_modify sort and first options cannot be used together
Self-explanatory.
-E: Atom ID is negative
+E: One or more Atom IDs is negative
-Self-explanatory.
+UNDOCUMENTED
-E: Atom ID is too big
+E: One or more atom IDs is too big
-The limit on atom IDs is set by the SMALLBIG, BIGBIG, SMALLSMALL
-setting in your Makefile. See Section_start 2.2 of the manual for
-more details.
+UNDOCUMENTED
-E: Atom ID is zero
+E: One or more atom IDs is zero
-Either all atoms IDs must be zero or none of them.
+UNDOCUMENTED
-E: Not all atom IDs are 0
+E: Non-zero atom IDs with atom_modify id = no
-Either all atoms IDs must be zero or none of them.
+UNDOCUMENTED
+
+E: All atom IDs = 0 but atom_modify id = yes
+
+UNDOCUMENTED
+
+E: Duplicate atom IDs exist
+
+UNDOCUMENTED
E: New atom IDs exceed maximum allowed ID
@@ -387,6 +393,10 @@ E: Incorrect atom format in data file
Number of values per atom line in the data file is not consistent with
the atom style.
+E: Invalid atom type in Atoms section of data file
+
+UNDOCUMENTED
+
E: Incorrect velocity format in data file
Each atom style defines a format for the Velocity section
@@ -497,4 +507,22 @@ E: Too many atom sorting bins
This is likely due to an immense simulation box that has blown up
to a large size.
+U: Atom ID is negative
+
+Self-explanatory.
+
+U: Atom ID is too big
+
+The limit on atom IDs is set by the SMALLBIG, BIGBIG, SMALLSMALL
+setting in your Makefile. See Section_start 2.2 of the manual for
+more details.
+
+U: Atom ID is zero
+
+Either all atoms IDs must be zero or none of them.
+
+U: Not all atom IDs are 0
+
+Either all atoms IDs must be zero or none of them.
+
*/
diff --git a/src/atom_vec_body.h b/src/atom_vec_body.h
index 4ed27f61680f253fd768e65a3be5ff89d096aa49..fd0199ee130a69d2f063c8704a12d356821c76c7 100644
--- a/src/atom_vec_body.h
+++ b/src/atom_vec_body.h
@@ -149,4 +149,8 @@ E: Assigning body parameters to non-body atom
Self-explanatory.
+E: Assigning quat to non-body atom
+
+UNDOCUMENTED
+
*/
diff --git a/src/comm.h b/src/comm.h
index 6861a034fcce4446f2d8881740227384de820717..90f3cd6d35e611d3d33a8b253e77038da5498042 100644
--- a/src/comm.h
+++ b/src/comm.h
@@ -163,10 +163,22 @@ E: Comm_modify group != atom_modify first group
Self-explanatory.
+E: Use cutoff/multi flag to set cutoff in multi mode
+
+UNDOCUMENTED
+
E: Invalid cutoff in comm_modify command
Specified cutoff must be >= 0.0.
+E: Use cutoff flag to set cutoff in single mode
+
+UNDOCUMENTED
+
+E: Cannot set cutoff/multi before simulation box is defined
+
+UNDOCUMENTED
+
E: Specified processors != physical processors
The 3d grid of processors defined by the processors command does not
diff --git a/src/compute_chunk_atom.h b/src/compute_chunk_atom.h
index 6330a37ad8c71bb373c7ab524d55ec2c40adce91..b8e76a924cfd2ba3481096c488829a4d817c675d 100644
--- a/src/compute_chunk_atom.h
+++ b/src/compute_chunk_atom.h
@@ -153,9 +153,17 @@ E: Compute chunk/atom without bins cannot use discard mixed
That discard option only applies to the binning styles.
-E: Compute ID for compute chunk/atom does not exist
+E: Compute chunk/atom sphere z origin must be 0.0 for 2d
-Self-explanatory.
+UNDOCUMENTED
+
+E: Compute chunk/atom cylinder axis must be z for 2d
+
+UNDOCUMENTED
+
+E: Compute ID for compute chunk /atom does not exist
+
+UNDOCUMENTED
E: Compute chunk/atom compute does not calculate per-atom values
@@ -205,6 +213,10 @@ E: Compute chunk/atom for triclinic boxes requires units reduced
Self-explanatory.
+E: Compute ID for compute chunk/atom does not exist
+
+Self-explanatory.
+
E: Molecule IDs too large for compute chunk/atom
The IDs must not be larger than can be stored in a 32-bit integer
@@ -234,6 +246,14 @@ E: Invalid bin bounds in compute chunk/atom
The lo/hi values are inconsistent.
+E: Compute chunk/atom bin/sphere radius is too large for periodic box
+
+UNDOCUMENTED
+
+E: Compute chunk/atom bin/cylinder radius is too large for periodic box
+
+UNDOCUMENTED
+
E: Cannot use compute chunk/atom bin z for 2d model
Self-explanatory.
diff --git a/src/compute_hexorder_atom.h b/src/compute_hexorder_atom.h
index 590b97d81c1d47fab4554b7b8efda650f2c6cc19..0508da7d3ffd93478c8c0425e70ebf9430093a84 100644
--- a/src/compute_hexorder_atom.h
+++ b/src/compute_hexorder_atom.h
@@ -64,6 +64,10 @@ E: Compute hexorder/atom requires a pair style be defined
Self-explantory.
+E: Compute hexorder/atom cutoff is longer than pairwise cutoff
+
+UNDOCUMENTED
+
W: More than one compute hexorder/atom
It is not efficient to use compute hexorder/atom more than once.
diff --git a/src/compute_msd_chunk.h b/src/compute_msd_chunk.h
index 6706755e161efec1a9799e616c309ae2d3cbb356..54f149784ebba9d3e716489f65973c24485a3859 100644
--- a/src/compute_msd_chunk.h
+++ b/src/compute_msd_chunk.h
@@ -76,6 +76,10 @@ E: Compute msd/chunk does not use chunk/atom compute
The style of the specified compute is not chunk/atom.
+E: Could not find compute msd/chunk fix ID
+
+UNDOCUMENTED
+
E: Compute msd/chunk nchunk is not static
This is required because the MSD cannot be computed consistently if
diff --git a/src/compute_orientorder_atom.h b/src/compute_orientorder_atom.h
index a9ccd4a3948695c8b9b117e45562caa9d9ce9c30..93f9f7b4afc002deac1ee3d12345e9b71441fbf4 100644
--- a/src/compute_orientorder_atom.h
+++ b/src/compute_orientorder_atom.h
@@ -73,6 +73,10 @@ E: Compute orientorder/atom requires a pair style be defined
Self-explantory.
+E: Compute orientorder/atom cutoff is longer than pairwise cutoff
+
+UNDOCUMENTED
+
W: More than one compute orientorder/atom
It is not efficient to use compute orientorder/atom more than once.
diff --git a/src/compute_temp.h b/src/compute_temp.h
index 71175b677a11323aacc70ee0cf7750ceb215c339..3313965303181cc102047f2f1ec9537dff5a61c4 100644
--- a/src/compute_temp.h
+++ b/src/compute_temp.h
@@ -52,4 +52,8 @@ 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: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/compute_temp_chunk.h b/src/compute_temp_chunk.h
index d9787d6015c7749ae6072b559655de459b50b59b..a4ddf8f420fac36f19ad9a531ad754df0837bd8a 100644
--- a/src/compute_temp_chunk.h
+++ b/src/compute_temp_chunk.h
@@ -106,4 +106,8 @@ E: Compute temp/chunk does not use chunk/atom compute
The style of the specified compute is not chunk/atom.
+E: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/compute_temp_com.h b/src/compute_temp_com.h
index 8b5b3f1e4b8e72db62e87f51db866864e5266a87..1d90028db266c7c2603c97f726fd7bc2c87fd451 100644
--- a/src/compute_temp_com.h
+++ b/src/compute_temp_com.h
@@ -58,4 +58,8 @@ 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: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/compute_temp_deform.h b/src/compute_temp_deform.h
index 8faed4bfac0e2a637b988b2bcb1641062e9e38d1..c1f54690089ac0808445d20ee24e634c33b0a533 100644
--- a/src/compute_temp_deform.h
+++ b/src/compute_temp_deform.h
@@ -68,4 +68,8 @@ W: Using compute temp/deform with no fix deform defined
This is probably an error, since it makes little sense to use
compute temp/deform in this case.
+E: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/compute_temp_partial.h b/src/compute_temp_partial.h
index 8c6f6d16b6c86053468dcfe853bbd0b2d885a9d4..a66c8f0fd23168d505aa6179b25a376807c9f56e 100644
--- a/src/compute_temp_partial.h
+++ b/src/compute_temp_partial.h
@@ -65,4 +65,8 @@ E: Compute temp/partial cannot use vz for 2d systemx
Self-explanatory.
+E: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/compute_temp_profile.h b/src/compute_temp_profile.h
index 630ca85a3251b5c5308c84eb523eff734d81abc8..4890a3f2529bc0e8e9fd08f732834a13c417aa8c 100644
--- a/src/compute_temp_profile.h
+++ b/src/compute_temp_profile.h
@@ -83,4 +83,8 @@ E: Compute temp/profile cannot bin z for 2d systems
Self-explanatory.
+E: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/compute_temp_ramp.h b/src/compute_temp_ramp.h
index 3fabc1d81bfd334cf7537947960841ad1262c561..ef6432146c466fd0f4ab6fa5ae78295cd70bf13e 100644
--- a/src/compute_temp_ramp.h
+++ b/src/compute_temp_ramp.h
@@ -63,4 +63,8 @@ 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: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/compute_temp_region.h b/src/compute_temp_region.h
index 2b2ddfd17de245e70ed2226fafa36daf06f501c9..08b11641a78ebb213a0868161fc75d85f5bcafaf 100644
--- a/src/compute_temp_region.h
+++ b/src/compute_temp_region.h
@@ -63,4 +63,8 @@ E: Region ID for compute temp/region does not exist
Self-explanatory.
+E: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/compute_temp_sphere.h b/src/compute_temp_sphere.h
index 85f231eca31a057e06e91cd15317ab7be598b17d..3b7418642dd442de25a6ad83f12d61c32f1e7b90 100644
--- a/src/compute_temp_sphere.h
+++ b/src/compute_temp_sphere.h
@@ -80,4 +80,8 @@ E: Bias compute group does not match compute group
The specified compute must operate on the same group as the parent
compute.
+E: Temperature compute degrees of freedom < 0
+
+UNDOCUMENTED
+
*/
diff --git a/src/delete_atoms.h b/src/delete_atoms.h
index 06c208cfec9f86c2eeb31ec983b35232911bae67..6bda837598c22b65cc10ff64e86f113dca4816a9 100644
--- a/src/delete_atoms.h
+++ b/src/delete_atoms.h
@@ -111,7 +111,11 @@ E: Cannot use delete_atoms bond yes with atom_style template
This is because the bonds for that atom style are hardwired in the
molecule template.
-E: Cannot delete_atoms mol yes for non-molecular systems
+E: Delete_atoms mol yes requires atom attribute molecule
+
+UNDOCUMENTED
+
+U: Cannot delete_atoms mol yes for non-molecular systems
Self-explanatory.
diff --git a/src/displace_atoms.h b/src/displace_atoms.h
index d84f39e760c70a58ad763d20aab06cdc6a648513..239627b1b04095a5d90c9a2139c7eb267c26f09d 100644
--- a/src/displace_atoms.h
+++ b/src/displace_atoms.h
@@ -79,4 +79,12 @@ W: Lost atoms via displace_atoms: original %ld current %ld
The command options you have used caused atoms to be lost.
+E: Variable name for displace_atoms does not exist
+
+UNDOCUMENTED
+
+E: Variable for displace_atoms is invalid style
+
+UNDOCUMENTED
+
*/
diff --git a/src/dump_image.h b/src/dump_image.h
index 879710838f03248eb2494b5c18e8f249406bf8fd..e17e73c7a3f6df6b1059a51d5aeb4a1f8ba79f14 100644
--- a/src/dump_image.h
+++ b/src/dump_image.h
@@ -135,6 +135,18 @@ E: Dump image persp option is not yet supported
Self-explanatory.
+E: Dump image line requires atom style line
+
+UNDOCUMENTED
+
+E: Dump image tri requires atom style tri
+
+UNDOCUMENTED
+
+E: Dump image body yes requires atom style body
+
+UNDOCUMENTED
+
E: Dump image requires one snapshot per file
Use a "*" in the filename.
diff --git a/src/fix_ave_chunk.h b/src/fix_ave_chunk.h
index 1a6771fc67b7f328289399debd8cd887f3bbd180..b882923876c9d0ff90930a635ea8b74e7d9e5a54 100644
--- a/src/fix_ave_chunk.h
+++ b/src/fix_ave_chunk.h
@@ -87,6 +87,10 @@ 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: No values in fix ave/chunk command
+
+UNDOCUMENTED
+
E: Cannot open fix ave/chunk file %s
The specified file cannot be opened. Check that the path and name are
@@ -160,6 +164,10 @@ E: Fix ave/chunk does not use chunk/atom compute
The specified conpute is not for a compute chunk/atom command.
+E: Error writing file header
+
+UNDOCUMENTED
+
E: Fix for fix ave/chunk not computed at compatible time
Fixes generate their values on specific timesteps. Fix ave/chunk is
@@ -170,4 +178,8 @@ E: Invalid timestep reset for fix ave/chunk
Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process.
+E: Error writing averaged chunk data
+
+UNDOCUMENTED
+
*/
diff --git a/src/fix_ave_correlate.h b/src/fix_ave_correlate.h
index 7647492ba371e2e2c88d6b46e39b533d5498c7bf..2b5bb4659403621f15f57eaa32a5440b2e038aa6 100644
--- a/src/fix_ave_correlate.h
+++ b/src/fix_ave_correlate.h
@@ -125,9 +125,17 @@ E: Fix ave/correlate variable is not equal-style variable
Self-explanatory.
+E: Error writing file header
+
+UNDOCUMENTED
+
E: Invalid timestep reset for fix ave/correlate
Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process.
+E: Error writing out correlation data
+
+UNDOCUMENTED
+
*/
diff --git a/src/fix_ave_histo.h b/src/fix_ave_histo.h
index dc095cd42d8b564c5877c1fbe92e489d350bc4c0..fbf3dfc19d0c478896bce099f1e8b5320f578a23 100644
--- a/src/fix_ave_histo.h
+++ b/src/fix_ave_histo.h
@@ -213,11 +213,19 @@ E: Variable name for fix ave/histo does not exist
Self-explanatory.
+E: Error writing file header
+
+UNDOCUMENTED
+
E: Invalid timestep reset for fix ave/histo
Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process.
+E: Error writing out histogram data
+
+UNDOCUMENTED
+
E: Cannot open fix ave/histo file %s
The specified file cannot be opened. Check that the path and name are
diff --git a/src/fix_ave_histo_weight.h b/src/fix_ave_histo_weight.h
index e29f199710abfad9badfe44a8c02ce764b5717d6..6de08d81589b807d33a010ebcb5839b67cecd429 100644
--- a/src/fix_ave_histo_weight.h
+++ b/src/fix_ave_histo_weight.h
@@ -50,142 +50,150 @@ 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 ID for fix ave/histo does not exist
+E: Fix ave/histo/weight value and weight vector lengths do not match
+
+UNDOCUMENTED
+
+E: Invalid timestep reset for fix ave/histo
+
+Resetting the timestep has invalidated the sequence of timesteps this
+fix needs to process.
+
+E: Error writing out histogram data
+
+UNDOCUMENTED
+
+U: Compute ID for fix ave/histo does not exist
Self-explanatory.
-E: Fix ID for fix ave/histo does not exist
+U: Fix ID for fix ave/histo does not exist
Self-explanatory.
-E: Fix ave/histo input is invalid compute
+U: Fix ave/histo input is invalid compute
Self-explanatory.
-E: Fix ave/histo input is invalid fix
+U: Fix ave/histo input is invalid fix
Self-explanatory.
-E: Fix ave/histo input is invalid variable
+U: Fix ave/histo input is invalid variable
Self-explanatory.
-E: Fix ave/histo inputs are not all global, peratom, or local
+U: Fix ave/histo inputs are not all global, peratom, or local
All inputs in a single fix ave/histo command must be of the
same style.
-E: Fix ave/histo cannot input per-atom values in scalar mode
+U: Fix ave/histo cannot input per-atom values in scalar mode
Self-explanatory.
-E: Fix ave/histo cannot input local values in scalar mode
+U: Fix ave/histo cannot input local values in scalar mode
Self-explanatory.
-E: Fix ave/histo compute does not calculate a global scalar
+U: Fix ave/histo compute does not calculate a global scalar
Self-explanatory.
-E: Fix ave/histo compute does not calculate a global vector
+U: Fix ave/histo compute does not calculate a global vector
Self-explanatory.
-E: Fix ave/histo compute vector is accessed out-of-range
+U: Fix ave/histo compute vector is accessed out-of-range
Self-explanatory.
-E: Fix ave/histo compute does not calculate a global array
+U: Fix ave/histo compute does not calculate a global array
Self-explanatory.
-E: Fix ave/histo compute array is accessed out-of-range
+U: Fix ave/histo compute array is accessed out-of-range
Self-explanatory.
-E: Fix ave/histo compute does not calculate per-atom values
+U: Fix ave/histo compute does not calculate per-atom values
Self-explanatory.
-E: Fix ave/histo compute does not calculate a per-atom vector
+U: Fix ave/histo compute does not calculate a per-atom vector
Self-explanatory.
-E: Fix ave/histo compute does not calculate a per-atom array
+U: Fix ave/histo compute does not calculate a per-atom array
Self-explanatory.
-E: Fix ave/histo compute does not calculate local values
+U: Fix ave/histo compute does not calculate local values
Self-explanatory.
-E: Fix ave/histo compute does not calculate a local vector
+U: Fix ave/histo compute does not calculate a local vector
Self-explanatory.
-E: Fix ave/histo compute does not calculate a local array
+U: Fix ave/histo compute does not calculate a local array
Self-explanatory.
-E: Fix ave/histo fix does not calculate a global scalar
+U: Fix ave/histo fix does not calculate a global scalar
Self-explanatory.
-E: Fix ave/histo fix does not calculate a global vector
+U: Fix ave/histo fix does not calculate a global vector
Self-explanatory.
-E: Fix ave/histo fix vector is accessed out-of-range
+U: Fix ave/histo fix vector is accessed out-of-range
Self-explanatory.
-E: Fix for fix ave/histo not computed at compatible time
+U: Fix for fix ave/histo not computed at compatible time
Fixes generate their values on specific timesteps. Fix ave/histo is
requesting a value on a non-allowed timestep.
-E: Fix ave/histo fix does not calculate a global array
+U: Fix ave/histo fix does not calculate a global array
Self-explanatory.
-E: Fix ave/histo fix array is accessed out-of-range
+U: Fix ave/histo fix array is accessed out-of-range
Self-explanatory.
-E: Fix ave/histo fix does not calculate per-atom values
+U: Fix ave/histo fix does not calculate per-atom values
Self-explanatory.
-E: Fix ave/histo fix does not calculate a per-atom vector
+U: Fix ave/histo fix does not calculate a per-atom vector
Self-explanatory.
-E: Fix ave/histo fix does not calculate a per-atom array
+U: Fix ave/histo fix does not calculate a per-atom array
Self-explanatory.
-E: Fix ave/histo fix does not calculate local values
+U: Fix ave/histo fix does not calculate local values
Self-explanatory.
-E: Fix ave/histo fix does not calculate a local vector
+U: Fix ave/histo fix does not calculate a local vector
Self-explanatory.
-E: Fix ave/histo fix does not calculate a local array
+U: Fix ave/histo fix does not calculate a local array
Self-explanatory.
-E: Variable name for fix ave/histo does not exist
+U: Variable name for fix ave/histo does not exist
Self-explanatory.
-E: Invalid timestep reset for fix ave/histo
-
-Resetting the timestep has invalidated the sequence of timesteps this
-fix needs to process.
-
-E: Cannot open fix ave/histo file %s
+U: Cannot open fix ave/histo file %s
The specified file cannot be opened. Check that the path and name are
correct.
diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h
index 8671e28219c7e3dd4028614b762cd0c463ea858c..4c1f2d281ff6f72a45dbef551461b8156aa64dcf 100644
--- a/src/fix_ave_time.h
+++ b/src/fix_ave_time.h
@@ -88,6 +88,10 @@ 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: No values in fix ave/time command
+
+UNDOCUMENTED
+
E: Compute ID for fix ave/time does not exist
Self-explanatory.
@@ -165,6 +169,10 @@ E: Fix ave/time cannot use variable with vector mode
Variables produce scalar values.
+E: Error writing file header
+
+UNDOCUMENTED
+
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
@@ -176,6 +184,10 @@ E: Invalid timestep reset for fix ave/time
Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process.
+E: Error writing out time averaged data
+
+UNDOCUMENTED
+
E: Fix ave/time columns are inconsistent lengths
Self-explanatory.
diff --git a/src/fix_move.h b/src/fix_move.h
index 977ec88eae8641e1e9913e28ab4e1caee915aa23..f8fe89fa722f9c6a70a8fb80cd9cd076593edc0c 100644
--- a/src/fix_move.h
+++ b/src/fix_move.h
@@ -109,14 +109,6 @@ E: Fix move cannot define z or vz variable for 2d problem
Self-explanatory.
-W: Fix move does not update angular momentum
-
-Atoms store this quantity, but fix move does not (yet) update it.
-
-W: Fix move does not update quaternions
-
-Atoms store this quantity, but fix move does not (yet) update it.
-
E: Zero length rotation vector with fix move
Self-explanatory.
@@ -137,4 +129,12 @@ E: Resetting timestep size is not allowed with fix move
This is because fix move is moving atoms based on elapsed time.
+U: Fix move does not update angular momentum
+
+Atoms store this quantity, but fix move does not (yet) update it.
+
+U: Fix move does not update quaternions
+
+Atoms store this quantity, but fix move does not (yet) update it.
+
*/
diff --git a/src/fix_nh.h b/src/fix_nh.h
index d2201e16122b004af757c4454ad31fbe42267155..dedfc3bf00ddb2de7790f2dac3a16ed52108ffb0 100644
--- a/src/fix_nh.h
+++ b/src/fix_nh.h
@@ -212,6 +212,14 @@ E: Invalid fix nvt/npt/nph pressure settings
Settings for coupled dimensions must be the same.
+E: Using update dipole flag requires atom style sphere
+
+UNDOCUMENTED
+
+E: Using update dipole flag requires atom attribute mu
+
+UNDOCUMENTED
+
E: Fix nvt/npt/nph damping parameters must be > 0.0
Self-explanatory.
diff --git a/src/fix_nve_limit.h b/src/fix_nve_limit.h
index 0ce22d6dbb961cc736469e47b384df270a42acc9..2a13b0394767dc5f22c0132e9484693ec7d92af2 100644
--- a/src/fix_nve_limit.h
+++ b/src/fix_nve_limit.h
@@ -56,7 +56,11 @@ 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.
-W: Should not use fix nve/limit with fix shake
+W: Should not use fix nve/limit with fix shake or fix rattle
+
+UNDOCUMENTED
+
+U: Should not use fix nve/limit with fix shake
This will lead to invalid constraint forces in the SHAKE computation.
diff --git a/src/fix_nve_sphere.h b/src/fix_nve_sphere.h
index 7aba8c5bde9c788e93de9e86b44e5b4a21615388..04da95b70983ffcf5d761fa4e7bc46afb7a5fbe5 100644
--- a/src/fix_nve_sphere.h
+++ b/src/fix_nve_sphere.h
@@ -53,12 +53,16 @@ E: Fix nve/sphere requires atom style sphere
Self-explanatory.
-E: Fix nve/sphere requires atom attribute mu
+E: Fix nve/sphere dipole requires atom attribute mu
-An atom style with this attribute is needed.
+UNDOCUMENTED
E: Fix nve/sphere requires extended particles
This fix can only be used for particles of a finite size.
+U: Fix nve/sphere requires atom attribute mu
+
+An atom style with this attribute is needed.
+
*/
diff --git a/src/fix_property_atom.h b/src/fix_property_atom.h
index a3ed06dcaf53637665e5f2a4377d5a5ac73636b3..385125936fd11686a46217fd203ab10ab660e323 100644
--- a/src/fix_property_atom.h
+++ b/src/fix_property_atom.h
@@ -92,6 +92,10 @@ E: Fix property/atom vector name already exists
The name for an integer or floating-point vector must be unique.
+W: Fix property/atom mol or charge w/out ghost communication
+
+UNDOCUMENTED
+
E: Atom style was redefined after using fix property/atom
This is not allowed.
@@ -101,6 +105,10 @@ E: Incorrect %s format in data file
A section of the data file being read by fix property/atom does
not have the correct number of values per line.
+E: Too few lines in %s section of data file
+
+UNDOCUMENTED
+
E: Invalid atom ID in %s section of data file
An atom in a section of the data file being read by fix property/atom
diff --git a/src/fix_store.h b/src/fix_store.h
index 9bdfc7d308d69b9c97aa87e709a9c9c104f3a7c2..d0be64d1464587dad2ca5cb6a20c9f73cc07208f 100644
--- a/src/fix_store.h
+++ b/src/fix_store.h
@@ -71,4 +71,8 @@ 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 fix store command
+
+UNDOCUMENTED
+
*/
diff --git a/src/fix_temp_csvr.h b/src/fix_temp_csvr.h
index 48e7cbce8ef0434a6e7850321ebd9fe72c862516..a97a0e1fed549c7215fef1718730b3e212b1105c 100644
--- a/src/fix_temp_csvr.h
+++ b/src/fix_temp_csvr.h
@@ -68,7 +68,6 @@ 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: Variable name for fix temp/csvr does not exist
Self-explanatory.
diff --git a/src/fix_wall_region.h b/src/fix_wall_region.h
index f133140f233a01cd162d9c2d38d999a400da476a..847cdeff5e01f78f27c674456b546f241c52a3b5 100644
--- a/src/fix_wall_region.h
+++ b/src/fix_wall_region.h
@@ -84,7 +84,11 @@ E: Fix wall/region colloid requires extended particles
One of the particles has radius 0.0.
-E: Particle on or inside surface of region used in fix wall/region
+E: Particle outside surface of region used in fix wall/region
+
+UNDOCUMENTED
+
+U: Particle on or inside surface of region used in fix wall/region
Particles must be "exterior" to the region surface in order for
energy/force to be calculated.
diff --git a/src/group.h b/src/group.h
index 4fbdb0cc6e27d148f632f7dd4612f0f7f65e6d01..423e351c78db444461a4eb7cac8304cd46a61c23 100644
--- a/src/group.h
+++ b/src/group.h
@@ -136,6 +136,10 @@ E: Group region ID does not exist
A region ID used in the group command does not exist.
+E: Illegal range increment value
+
+UNDOCUMENTED
+
E: Variable name for group does not exist
Self-explanatory.
diff --git a/src/info.h b/src/info.h
index 19fca873b67dbbd5f3d9a1091dece864b14af40e..66c13715e820dfea0675382409df94575ea03e41 100644
--- a/src/info.h
+++ b/src/info.h
@@ -41,15 +41,39 @@ class Info : protected Pointers {
/* 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.
-
W: Ignoring unknown or incorrect info command flag
Self-explanatory. The an unknown argument was given to the info command.
Compare your input with the documentation.
+E: Unknown name for package category
+
+UNDOCUMENTED
+
+E: Unknown name for newton category
+
+UNDOCUMENTED
+
+E: Unknown name for pair category
+
+UNDOCUMENTED
+
+E: Unknown category for is_active()
+
+UNDOCUMENTED
+
+E: Unknown category for is_available()
+
+UNDOCUMENTED
+
+E: Unknown category for is_defined()
+
+UNDOCUMENTED
+
+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.
+
*/
diff --git a/src/input.h b/src/input.h
index 37a6cf240915ec11c4ac38e4bef27f18a5414769..7ed88f214082691d55e907e458ad426906b6f053 100644
--- a/src/input.h
+++ b/src/input.h
@@ -200,6 +200,14 @@ E: Cannot open print file %s
Self-explanatory.
+W: shell command '%s' failed with error '%s'
+
+UNDOCUMENTED
+
+W: shell command returned with non-zero status
+
+UNDOCUMENTED
+
E: Angle_coeff command before simulation box is defined
The angle_coeff command cannot be used before a read_data,
diff --git a/src/molecule.h b/src/molecule.h
index 5f45a47d2c791c5c736d245ef2613798c09d0836..b6cb9f778d2bf772d8d75f9b88b254c2c5e393aa 100644
--- a/src/molecule.h
+++ b/src/molecule.h
@@ -165,6 +165,10 @@ class Molecule : protected Pointers {
/* ERROR/WARNING messages:
+E: Illegal ... command
+
+UNDOCUMENTED
+
E: Molecule template ID must be alphanumeric or underscore characters
Self-explanatory.
@@ -181,9 +185,29 @@ E: Molecule file z center-of-mass must be 0.0 for 2d
Self-explanatory.
-E: No atom count in molecule file
+E: Molecule file requires atom style body
-Self-explanatory.
+UNDOCUMENTED
+
+E: No or invalid atom count in molecule file
+
+UNDOCUMENTED
+
+E: Invalid bond count in molecule file
+
+UNDOCUMENTED
+
+E: Invalid angle count in molecule file
+
+UNDOCUMENTED
+
+E: Invalid dihedral count in molecule file
+
+UNDOCUMENTED
+
+E: Invalid improper count in molecule file
+
+UNDOCUMENTED
E: Molecule file has bonds but no nbonds setting
@@ -209,6 +233,10 @@ E: Molecule file shake flags not before shake bonds
The order of the two sections is important.
+E: Molecule file has body params but no setting for them
+
+UNDOCUMENTED
+
E: Unknown section in molecule file
Self-explanatory.
@@ -221,30 +249,66 @@ E: Molecule file has special flags but no bonds
Self-explanatory.
-E: Molecule file has bonds but no special flags
-
-Self-explanatory.
-
E: Molecule file shake info is incomplete
All 3 SHAKE sections are needed.
+E: Molecule file has no Body Integers section
+
+UNDOCUMENTED
+
+E: Molecule file has no Body Doubles section
+
+UNDOCUMENTED
+
+E: Molecule natoms must be 1 for body particle
+
+UNDOCUMENTED
+
+E: Molecule sizescale must be 1.0 for body particle
+
+UNDOCUMENTED
+
+E: Invalid Coords section in molecule file
+
+UNDOCUMENTED
+
E: Molecule file z coord must be 0.0 for 2d
Self-explanatory.
+E: Invalid Types section in molecule file
+
+UNDOCUMENTED
+
E: Invalid atom type in molecule file
Atom types must range from 1 to specified # of types.
+E: Invalid Charges section in molecule file
+
+UNDOCUMENTED
+
+E: Invalid Diameters section in molecule file
+
+UNDOCUMENTED
+
E: Invalid atom diameter in molecule file
Diameters must be >= 0.0.
+E: Invalid Masses section in molecule file
+
+UNDOCUMENTED
+
E: Invalid atom mass in molecule file
Masses must be > 0.0.
+E: Invalid Bonds section in molecule file
+
+UNDOCUMENTED
+
E: Invalid atom ID in Bonds section of molecule file
Self-explanatory.
@@ -253,6 +317,10 @@ E: Invalid bond type in Bonds section of molecule file
Self-explanatory.
+E: Invalid Angles section in molecule file
+
+UNDOCUMENTED
+
E: Invalid atom ID in Angles section of molecule file
Self-explanatory.
@@ -261,6 +329,10 @@ E: Invalid angle type in Angles section of molecule file
Self-explanatory.
+E: Invalid Dihedrals section in molecule file
+
+UNDOCUMENTED
+
E: Invalid atom ID in dihedrals section of molecule file
Self-explanatory.
@@ -269,6 +341,10 @@ E: Invalid dihedral type in dihedrals section of molecule file
Self-explanatory.
+E: Invalid Impropers section in molecule file
+
+UNDOCUMENTED
+
E: Invalid atom ID in impropers section of molecule file
Self-explanatory.
@@ -277,6 +353,10 @@ E: Invalid improper type in impropers section of molecule file
Self-explanatory.
+E: Invalid Special Bond Counts section in molecule file
+
+UNDOCUMENTED
+
E: Molecule file special list does not match special count
The number of values in an atom's special list does not match count.
@@ -285,6 +365,14 @@ E: Invalid special atom index in molecule file
Self-explanatory.
+E: Molecule auto special bond generation overflow
+
+UNDOCUMENTED
+
+E:
+
+UNDOCUMENTED
+
E: Invalid shake flag in molecule file
Self-explanatory.
@@ -301,6 +389,14 @@ E: Invalid shake angle type in molecule file
Self-explanatory.
+E: Too few values in body section of molecule file
+
+UNDOCUMENTED
+
+E: Too many values in body section of molecule file
+
+UNDOCUMENTED
+
W: Molecule attributes do not match system attributes
An attribute is specified (e.g. diameter, charge) that is
@@ -328,4 +424,12 @@ E: Cannot open molecule file %s
The specified file cannot be opened. Check that the path and name are
correct.
+U: No atom count in molecule file
+
+Self-explanatory.
+
+U: Molecule file has bonds but no special flags
+
+Self-explanatory.
+
*/
diff --git a/src/neigh_shardlow.h b/src/neigh_shardlow.h
new file mode 100644
index 0000000000000000000000000000000000000000..1538f7662a5d2de48bb7f253e55d743da754aa9e
--- /dev/null
+++ b/src/neigh_shardlow.h
@@ -0,0 +1,22 @@
+/* -*- c++ -*- ----------------------------------------------------------
+ LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+ http://lammps.sandia.gov, Sandia National Laboratories
+ Steve Plimpton, sjplimp@sandia.gov
+
+ Copyright (2003) Sandia Corporation. Under the terms of Contract
+ DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+ certain rights in this software. This software is distributed under
+ the GNU General Public License.
+
+ See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ERROR/WARNING messages:
+
+E: Neighbor list overflow, boost neigh_modify one
+
+There are too many neighbors of a single atom. Use the neigh_modify
+command to increase the max number of neighbors allowed for one atom.
+You may also want to boost the page size.
+
+*/
diff --git a/src/pair.h b/src/pair.h
index 56c9e2167b4e84096919e921d452d2b8363ee14c..662f58bf104ed354e987a52094883971977ea019 100644
--- a/src/pair.h
+++ b/src/pair.h
@@ -285,6 +285,14 @@ 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 pair tail corrections with compute set to no
+
+UNDOCUMENTED
+
+W: Using pair potential shift with compute set to no
+
+UNDOCUMENTED
+
W: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions
This is likely not what you want to do. The exclusion settings will
diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h
index 8686f770674160e0f5b4ebe53b0218484408e1a7..b2cfb14f1526f27a0199408f3861f5d8c931ace3 100644
--- a/src/pair_hybrid.h
+++ b/src/pair_hybrid.h
@@ -87,16 +87,16 @@ class PairHybrid : public Pair {
/* ERROR/WARNING messages:
+E: Cannot yet use pair hybrid with Kokkos
+
+This feature is not yet supported.
+
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: Cannot yet use pair hybrid with Kokkos
-
-This feature is not yet supported.
-
E: Pair style hybrid cannot have hybrid as an argument
Self-explanatory.
@@ -118,6 +118,14 @@ E: Pair hybrid sub-style is not used
No pair_coeff command used a sub-style specified in the pair_style
command.
+E: Pair_modify special setting incompatible with global special_bonds setting
+
+UNDOCUMENTED
+
+E: Pair_modify special setting incompatible withglobal special_bonds setting
+
+UNDOCUMENTED
+
E: All pair coeffs are not set
All pair coefficients must be set in the data file or by the
@@ -134,6 +142,10 @@ 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: Pair hybrid single calls do not support per sub-style special bond values
+
+UNDOCUMENTED
+
E: Unknown pair_modify hybrid sub-style
The choice of sub-style is unknown.
diff --git a/src/read_data.h b/src/read_data.h
index b3e6dcba1367a6dc6bfec02d1e8d307b04db252a..4317bcdd1a2d8ae2c608a5bb17b8711076866423 100644
--- a/src/read_data.h
+++ b/src/read_data.h
@@ -124,28 +124,59 @@ 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
+E: Read data add offset is too big
+
+UNDOCUMENTED
+
+E: Non-zero read_data shift z value for 2d simulation
+
+UNDOCUMENTED
+
+E: No bonds allowed with this atom style
Self-explanatory.
-E: Cannot read_data after simulation box is defined
+E: No angles allowed with this atom style
-The read_data command cannot be used after a read_data,
-read_restart, or create_box command.
+Self-explanatory.
-E: Cannot read_data add and merge
+E: No dihedrals allowed with this atom style
-These options are not yet supported.
+Self-explanatory.
-E: Cannot use non-zero z offset in read_data for 2d simulation
+E: No impropers allowed with this atom style
-The offset option is not yet supported.
+Self-explanatory.
+
+E: Fix ID for read_data does not exist
+
+Self-explanatory.
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: Cannot read_data without add keyword after simulation box is defined
+
+UNDOCUMENTED
+
+E: Cannot use read_data add before simulation box is defined
+
+UNDOCUMENTED
+
+E: Cannot use read_data offset without add flag
+
+UNDOCUMENTED
+
+E: Cannot use read_data shift without add flag
+
+UNDOCUMENTED
+
+E: Cannot use read_data extra with add flag
+
+UNDOCUMENTED
+
W: Atom style in data file differs from currently defined atom style
Self-explanatory.
@@ -411,22 +442,6 @@ E: System in data file is too big
See the setting for bigint in the src/lmptype.h file.
-E: No bonds allowed with this atom style
-
-Self-explanatory.
-
-E: No angles allowed with this atom style
-
-Self-explanatory.
-
-E: No dihedrals allowed with this atom style
-
-Self-explanatory.
-
-E: No impropers allowed with this atom style
-
-Self-explanatory.
-
E: Bonds defined but no bond types
The data file header lists bonds but no bond types.
@@ -454,29 +469,53 @@ 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.
+E: Subsequent read data induced too many bonds per atom
+
+UNDOCUMENTED
+
E: Bonds assigned incorrectly
Bonds read in from the data file were not assigned correctly to atoms.
This means there is something invalid about the topology definitions.
+E: Subsequent read data induced too many angles per atom
+
+UNDOCUMENTED
+
E: Angles assigned incorrectly
Angles read in from the data file were not assigned correctly to
atoms. This means there is something invalid about the topology
definitions.
+E: Subsequent read data induced too many dihedrals per atom
+
+UNDOCUMENTED
+
E: Dihedrals assigned incorrectly
Dihedrals read in from the data file were not assigned correctly to
atoms. This means there is something invalid about the topology
definitions.
+E: Subsequent read data induced too many impropers per atom
+
+UNDOCUMENTED
+
E: Impropers assigned incorrectly
Impropers read in from the data file were not assigned correctly to
atoms. This means there is something invalid about the topology
definitions.
+E: Too few values in body lines in data file
+
+UNDOCUMENTED
+
+E: Too many values in body lines in data file
+
+UNDOCUMENTED
+
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.
@@ -513,4 +552,17 @@ The specified file cannot be opened. Check that the path and name are
correct. If the file is a compressed file, also check that the gzip
executable can be found and run.
+U: 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.
+
+U: Cannot read_data add and merge
+
+These options are not yet supported.
+
+U: Cannot use non-zero z offset in read_data for 2d simulation
+
+The offset option is not yet supported.
+
*/
diff --git a/src/read_restart.h b/src/read_restart.h
index e21c9dcbf3079d0e9177c5b4dccebd1fb5f74009..50bbf34937c2153f48cacdc1577014a95d09b964 100644
--- a/src/read_restart.h
+++ b/src/read_restart.h
@@ -172,6 +172,10 @@ W: Restart file used different boundary settings, using restart file values
Your input script cannot change these restart file settings.
+E: Illegal or unset periodicity in restart
+
+UNDOCUMENTED
+
E: Invalid flag in header section of restart file
Unrecognized entry in restart file.
@@ -216,4 +220,16 @@ 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.
+E: Illegal size string or corrupt restart
+
+UNDOCUMENTED
+
+E: Illegal size integer vector read requested
+
+UNDOCUMENTED
+
+E: Illegal size double vector read requested
+
+UNDOCUMENTED
+
*/
diff --git a/src/region.h b/src/region.h
index f688579ede1378898c659d780994ddff34fc8833..0c4fb28a24bd4aba47f32ddccb113034ac863035 100644
--- a/src/region.h
+++ b/src/region.h
@@ -100,6 +100,10 @@ E: Variable for region is not equal style
Self-explanatory.
+E: Can only use Kokkos supported regions with Kokkos package
+
+UNDOCUMENTED
+
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
diff --git a/src/respa.h b/src/respa.h
index 87c04c948dc2fb598b3972c14275dd4d80c3c7db..3355cd2eb7a1fd10aefaca628160ed1822215246 100644
--- a/src/respa.h
+++ b/src/respa.h
@@ -93,12 +93,6 @@ In the rRESPA integrator, you must compute pairwise potentials either
all together (pair), or in pieces (inner/middle/outer). You can't do
both.
-E: Cannot set respa hybrid and any of pair/inner/middle/outer
-
-In the rRESPA integrator, you must compute pairwise potentials either
-all together (pair), with different cutoff regions (inner/middle/outer),
-or per hybrid sub-style (hybrid). You cannot mix those.
-
E: Must set both respa inner and outer
Cannot use just the inner or outer option with respa without using the
@@ -109,6 +103,12 @@ E: Cannot set respa middle without inner/outer
In the rRESPA integrator, you must define both a inner and outer
setting in order to use a middle setting.
+E: Cannot set respa hybrid and any of pair/inner/middle/outer
+
+In the rRESPA integrator, you must compute pairwise potentials either
+all together (pair), with different cutoff regions (inner/middle/outer),
+or per hybrid sub-style (hybrid). You cannot mix those.
+
E: Invalid order of forces within respa levels
For respa, ordering of force computations within respa levels must
diff --git a/src/set.h b/src/set.h
index 0c86103bada710d7d7b8b2145eb6d008a82144b6..e8149d2f92f79b2444eb324bfbf0e84ee6d88cf7 100644
--- a/src/set.h
+++ b/src/set.h
@@ -98,9 +98,29 @@ E: Cannot set non-zero image flag for non-periodic dimension
Self-explanatory.
-E: Cannot set meso_rho for this atom style
+E: Cannot set meso/e for this atom style
-Self-explanatory.
+UNDOCUMENTED
+
+E: Cannot set meso/cv for this atom style
+
+UNDOCUMENTED
+
+E: Cannot set meso/rho for this atom style
+
+UNDOCUMENTED
+
+E: Cannot set smd/mass/density for this atom style
+
+UNDOCUMENTED
+
+E: Cannot set smd/contact/radius for this atom style
+
+UNDOCUMENTED
+
+E: Cannot set dpd/theta for this atom style
+
+UNDOCUMENTED
E: Set command integer vector does not exist
@@ -146,6 +166,10 @@ E: Cannot set quaternion for atom that has none
Self-explanatory.
+E: Cannot set quaternion with xy components for 2d system
+
+UNDOCUMENTED
+
E: Cannot set theta for atom that is not a line
Self-explanatory.
@@ -187,4 +211,8 @@ E: Variable for set command is invalid style
Only atom-style variables can be used.
+U: Cannot set meso_rho for this atom style
+
+Self-explanatory.
+
*/
diff --git a/src/timer.h b/src/timer.h
index 5737b52834cf83e2086289391ebc20f3af3fa987..3244267b444bcce07026e3ce8193e23a4d31d971 100644
--- a/src/timer.h
+++ b/src/timer.h
@@ -75,3 +75,11 @@ class Timer : protected Pointers {
}
#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+UNDOCUMENTED
+
+*/
diff --git a/src/update.h b/src/update.h
index 38bf1b7db99e269df77209d54baa9fa8ec88ddcb..3721bfbed4325b6607934aeb3593e7f80a0ab08d 100644
--- a/src/update.h
+++ b/src/update.h
@@ -90,10 +90,6 @@ E: Timestep must be >= 0
Specified timestep is invalid.
-E: Too big a timestep
-
-Specified timestep is too large.
-
E: Cannot reset timestep with a time-dependent fix defined
You cannot reset the timestep when a fix that keeps track of elapsed
@@ -105,4 +101,8 @@ Dynamic regions (see the region command) have a time dependence.
Thus you cannot change the timestep when one or more of these
are defined.
+U: Too big a timestep
+
+Specified timestep is too large.
+
*/
diff --git a/src/variable.h b/src/variable.h
index e9bf29d4aff250b1e5d16bed78c808e8fe211c24..753604e60cb28a53ca951fd4bee051819d683ccb 100644
--- a/src/variable.h
+++ b/src/variable.h
@@ -150,6 +150,10 @@ E: Universe/uloop variable count < # of partitions
A universe or uloop style variable must specify a number of values >= to the
number of processor partitions.
+E: Cannot open temporary file for world counter.
+
+UNDOCUMENTED
+
E: All universe/uloop variables must have same # of values
Self-explanatory.
@@ -412,6 +416,18 @@ E: Invalid variable style in special function next
Only file-style or atomfile-style variables can be used with next().
+E: Invalid is_active() function in variable formula
+
+UNDOCUMENTED
+
+E: Invalid is_available() function in variable formula
+
+UNDOCUMENTED
+
+E: Invalid is_defined() function in variable formula
+
+UNDOCUMENTED
+
E: Indexed per-atom vector in variable formula without atom map
Accessing a value from an atom vector requires the ability to lookup