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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2016-02-08 16:18:20 +00:00
parent da41fcb74b
commit 9e20448834
101 changed files with 1192 additions and 250 deletions
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4
src/ASPHERE/compute_temp_asphere.h
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@ -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 The specified compute must operate on the same group as the parent
compute. compute.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

4
src/ASPHERE/pair_line_lj.h
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@ -79,4 +79,8 @@ E: Pair line/lj requires atom style line
Self-explanatory. Self-explanatory.
E: All pair coeffs are not set
UNDOCUMENTED
*/ */

10
src/BODY/body_nparticle.h
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@ -59,11 +59,6 @@ E: Invalid body nparticle command
Arguments in atom-style command are not correct. 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 E: Incorrect # of integer values in Bodies section of data file
See doc page for body style. 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. 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.
*/ */

4
src/COMPRESS/dump_atom_gz.h
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@ -50,4 +50,8 @@ E: Dump atom/gz only writes compressed files
The dump atom/gz output file name must have a .gz suffix. The dump atom/gz output file name must have a .gz suffix.
E: Cannot open dump file
UNDOCUMENTED
*/ */

4
src/COMPRESS/dump_cfg_gz.h
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@ -50,4 +50,8 @@ E: Dump cfg/gz only writes compressed files
The dump cfg/gz output file name must have a .gz suffix. The dump cfg/gz output file name must have a .gz suffix.
E: Cannot open dump file
UNDOCUMENTED
*/ */

4
src/COMPRESS/dump_custom_gz.h
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@ -50,4 +50,8 @@ E: Dump custom/gz only writes compressed files
The dump custom/gz output file name must have a .gz suffix. The dump custom/gz output file name must have a .gz suffix.
E: Cannot open dump file
UNDOCUMENTED
*/ */

4
src/COMPRESS/dump_xyz_gz.h
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@ -50,4 +50,8 @@ E: Dump xyz/gz only writes compressed files
The dump xyz/gz output file name must have a .gz suffix. The dump xyz/gz output file name must have a .gz suffix.
E: Cannot open dump file
UNDOCUMENTED
*/ */

4
src/CORESHELL/compute_temp_cs.h
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@ -101,4 +101,8 @@ E: Core/shell partners were not all found
Could not find or more atoms in the bond pairs. Could not find or more atoms in the bond pairs.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

8
src/GPU/pair_eam_alloy_gpu.h
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@ -56,6 +56,14 @@ public:
/* ERROR/WARNING messages: /* 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 E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file. Self-explanatory. Check the input script or data file.

8
src/GPU/pair_eam_fs_gpu.h
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@ -56,6 +56,14 @@ public:
/* ERROR/WARNING messages: /* 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 E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file. Self-explanatory. Check the input script or data file.

6
src/GPU/pair_lj_cubic_gpu.h
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@ -51,7 +51,11 @@ E: Insufficient memory on accelerator
There is insufficient memory on one of the devices specified for the gpu There is insufficient memory on one of the devices specified for the gpu
package 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. Self-explanatory.

5
src/GPU/pair_tersoff_gpu.h
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@ -54,6 +54,10 @@ E: Insufficient memory on accelerator
There is insufficient memory on one of the devices specified for the gpu There is insufficient memory on one of the devices specified for the gpu
package package
E: Pair style tersoff/gpu requires atom IDs
UNDOCUMENTED
E: Pair style tersoff/gpu requires newton pair off E: Pair style tersoff/gpu requires newton pair off
See the newton command. This is a restriction to use this pair style. 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. pair_coeff command before running a simulation.
*/ */

6
src/GPU/pair_zbl_gpu.h
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@ -51,7 +51,11 @@ E: Insufficient memory on accelerator
There is insufficient memory on one of the devices specified for the gpu There is insufficient memory on one of the devices specified for the gpu
package 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. Self-explanatory.

12
src/GRANULAR/pair_gran_hooke_history.h
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@ -83,9 +83,9 @@ E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file. 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 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 This is a current restriction of the implementation of pair
granular styles with history. granular styles with history.
E: Could not find pair fix ID
UNDOCUMENTED
U: Pair granular requires atom style sphere
Self-explanatory.
*/ */

4
src/KOKKOS/atom_kokkos.h
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@ -110,4 +110,8 @@ class SortFunctor {
/* ERROR/WARNING messages: /* ERROR/WARNING messages:
E: KOKKOS package requires a kokkos enabled atom_style
UNDOCUMENTED
*/ */

6
src/KOKKOS/compute_temp_kokkos.h
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@ -98,7 +98,11 @@ class ComputeTempKokkos : public ComputeTemp {
/* ERROR/WARNING messages: /* 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 Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a documentation for the command. You can use -echo screen as a

4
src/KOKKOS/domain_kokkos.h
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@ -63,4 +63,8 @@ class DomainKokkos : public Domain {
/* ERROR/WARNING messages: /* ERROR/WARNING messages:
E: Illegal simulation box
UNDOCUMENTED
*/ */

28
src/KOKKOS/fix_deform_kokkos.h
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@ -44,58 +44,62 @@ class FixDeformKokkos : public FixDeform {
/* ERROR/WARNING messages: /* 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 Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. 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 Cannot deform the tilt factors of a simulation box unless it
is a triclinic (non-orthogonal) box. 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 The x, y, z options cannot be applied to shrink-wrapped
dimensions. 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 This is because the shrink-wrapping will change the value
of the strain implied by the tilt factor. 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. 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. 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. 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. 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. 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. 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 The yz setting cannot be a variable if xy deformation is also
specified. This is because LAMMPS cannot determine if the yz setting 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. 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 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 box must flip from one tilt extreme to another. Thus it is not

8
src/KOKKOS/fix_nh_kokkos.h
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@ -83,4 +83,12 @@ class FixNHKokkos : public FixNH {
/* ERROR/WARNING messages: /* 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
*/ */

8
src/KOKKOS/fix_nph_kokkos.h
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@ -40,4 +40,12 @@ class FixNPHKokkos : public FixNHKokkos<DeviceType> {
/* ERROR/WARNING messages: /* ERROR/WARNING messages:
E: Temperature control can not be used with fix nph
UNDOCUMENTED
E: Pressure control must be used with fix nph
UNDOCUMENTED
*/ */

8
src/KOKKOS/fix_npt_kokkos.h
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@ -40,4 +40,12 @@ class FixNPTKokkos : public FixNHKokkos<DeviceType> {
/* ERROR/WARNING messages: /* ERROR/WARNING messages:
E: Temperature control must be used with fix npt
UNDOCUMENTED
E: Pressure control must be used with fix npt
UNDOCUMENTED
*/ */

8
src/KOKKOS/fix_nvt_kokkos.h
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@ -41,4 +41,12 @@ class FixNVTKokkos : public FixNHKokkos<DeviceType> {
/* ERROR/WARNING messages: /* ERROR/WARNING messages:
E: Temperature control must be used with fix nvt
UNDOCUMENTED
E: Pressure control can not be used with fix nvt
UNDOCUMENTED
*/ */

8
src/KOKKOS/kokkos.h
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@ -47,6 +47,14 @@ E: Invalid Kokkos command-line args
Self-explanatory. See Section 2.7 of the manual for details. 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 E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the Self-explanatory. Check the input script syntax and compare to the

8
src/KOKKOS/neighbor_kokkos.h
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@ -433,14 +433,14 @@ class NeighborKokkos : public Neighbor {
/* ERROR/WARNING messages: /* 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 E: Too many local+ghost atoms for neighbor list
The number of nlocal + nghost atoms on a processor The number of nlocal + nghost atoms on a processor
is limited by the size of a 32-bit integer with 2 bits is limited by the size of a 32-bit integer with 2 bits
removed for masking 1-2, 1-3, 1-4 neighbors. 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.
*/ */

12
src/KOKKOS/pair_buck_coul_cut_kokkos.h
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@ -131,4 +131,16 @@ class PairBuckCoulCutKokkos : public PairBuckCoulCut {
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_buck_coul_long_kokkos.h
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@ -147,4 +147,16 @@ class PairBuckCoulLongKokkos : public PairBuckCoulLong {
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_coul_debye_kokkos.h
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@ -132,4 +132,16 @@ class PairCoulDebyeKokkos : public PairCoulDebye {
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_coul_long_kokkos.h
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@ -151,4 +151,16 @@ class PairCoulLongKokkos : public PairCoulLong {
/* ERROR/WARNING messages: /* 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
*/ */

16
src/KOKKOS/pair_eam_alloy_kokkos.h
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@ -180,4 +180,20 @@ E: Cannot use chosen neighbor list style with pair eam/kk/alloy
That style is not supported by Kokkos. 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
*/ */

16
src/KOKKOS/pair_eam_fs_kokkos.h
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@ -180,4 +180,20 @@ E: Cannot use chosen neighbor list style with pair eam/kk/fs
That style is not supported by Kokkos. 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
*/ */

12
src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h
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@ -148,4 +148,16 @@ class PairLJCharmmCoulCharmmImplicitKokkos : public PairLJCharmmCoulCharmmImplic
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h
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@ -148,4 +148,16 @@ class PairLJCharmmCoulCharmmKokkos : public PairLJCharmmCoulCharmm {
/* ERROR/WARNING messages: /* 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
*/ */

8
src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h
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@ -147,4 +147,12 @@ class PairLJCharmmCoulLongKokkos : public PairLJCharmmCoulLong {
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h
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@ -127,4 +127,16 @@ class PairLJClass2CoulCutKokkos : public PairLJClass2CoulCut {
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_lj_class2_coul_long_kokkos.h
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@ -144,4 +144,16 @@ class PairLJClass2CoulLongKokkos : public PairLJClass2CoulLong {
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_lj_class2_kokkos.h
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@ -121,4 +121,16 @@ class PairLJClass2Kokkos : public PairLJClass2 {
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h
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@ -128,4 +128,16 @@ class PairLJCutCoulDebyeKokkos : public PairLJCutCoulDebye {
/* ERROR/WARNING messages: /* 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
*/ */

8
src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h
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@ -127,4 +127,12 @@ class PairLJCutCoulDSFKokkos : public PairLJCutCoulDSF {
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_lj_expand_kokkos.h
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@ -122,4 +122,16 @@ class PairLJExpandKokkos : public PairLJExpand {
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h
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@ -148,4 +148,16 @@ class PairLJGromacsCoulGromacsKokkos : public PairLJGromacsCoulGromacs {
/* ERROR/WARNING messages: /* 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
*/ */

12
src/KOKKOS/pair_lj_gromacs_kokkos.h
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@ -150,4 +150,16 @@ class PairLJGromacsKokkos : public PairLJGromacs {
/* ERROR/WARNING messages: /* 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
*/ */

4
src/KOKKOS/pair_sw_kokkos.h
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@ -147,4 +147,8 @@ class PairSWKokkos : public PairSW {
/* ERROR/WARNING messages: /* ERROR/WARNING messages:
E: Cannot use chosen neighbor list style with pair sw/kk
UNDOCUMENTED
*/ */

4
src/KOKKOS/pair_tersoff_kokkos.h
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@ -217,4 +217,8 @@ class PairTersoffKokkos : public PairTersoff {
/* ERROR/WARNING messages: /* ERROR/WARNING messages:
E: Cannot use chosen neighbor list style with tersoff/kk
UNDOCUMENTED
*/ */

4
src/KOKKOS/pair_tersoff_mod_kokkos.h
View File

@ -217,4 +217,8 @@ class PairTersoffMODKokkos : public PairTersoffMOD {
/* ERROR/WARNING messages: /* ERROR/WARNING messages:
E: Cannot use chosen neighbor list style with tersoff/kk
UNDOCUMENTED
*/ */

8
src/KOKKOS/pair_tersoff_zbl_kokkos.h
View File

@ -228,4 +228,12 @@ class PairTersoffZBLKokkos : public PairTersoffZBL {
/* ERROR/WARNING messages: /* 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
*/ */

4
src/KSPACE/ewald_disp.h
View File

@ -143,8 +143,8 @@ solver/pair style.
W: System is not charge neutral, net charge = %g W: System is not charge neutral, net charge = %g
The total charge on all atoms on the system is not 0.0, which The total charge on all atoms on the system is not 0.0.
is not valid for the long-range Coulombic solvers. For some KSpace solvers this is only a warning.
W: Ewald/disp Newton solver failed, using old method to estimate g_ewald W: Ewald/disp Newton solver failed, using old method to estimate g_ewald

4
src/MANYBODY/pair_bop.h
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@ -282,4 +282,8 @@ E: Cannot open BOP potential file %s
The specified BOP potential file cannot be opened. Check that the The specified BOP potential file cannot be opened. Check that the
path and name are correct. path and name are correct.
E: Incorrect table format check for element types
UNDOCUMENTED
*/ */

40
src/MANYBODY/pair_polymorphic.h
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@ -317,3 +317,43 @@ class PairPolymorphic : public Pair {
#endif #endif
#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
*/

6
src/MANYBODY/pair_vashishta.h
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@ -110,12 +110,10 @@ invalid.
E: Potential file has duplicate entry E: Potential file has duplicate entry
The potential file for a Vashishta or Tersoff potential has more than The potential file has more than one entry for the same element.
one entry for the same 3 ordered elements.
E: Potential file is missing an entry E: Potential file is missing an entry
The potential file for a Vashishta or Tersoff potential does not have a The potential file does not have a needed entry.
needed entry.
*/ */

4
src/MC/fix_atom_swap.h
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@ -133,6 +133,10 @@ E: At least one atom of each swapped type must be present to define charges.
Self-explanatory. 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 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 This is a restriction due to the way atoms are organized in a list to

26
src/MC/fix_gcmc.h
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@ -178,11 +178,19 @@ E: Atom type must be zero in fix gcmc mol command
Self-explanatory. 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 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 When using atom_style template, you cannot insert molecules that are
not in that template. 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 E: Cannot use fix gcmc shake and not molecule
Self-explanatory. 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 The computed mass of the designated gas molecule or atom type was less
than or equal to zero. 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 UNDOCUMENTED
enable the atom_modify first command.
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 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. 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.
*/ */

4
src/MISC/fix_deposit.h
View File

@ -153,6 +153,10 @@ E: Fix deposit and fix shake not using same molecule template ID
Self-explanatory. Self-explanatory.
W: Fix deposit near setting < possible overlap separation %g
UNDOCUMENTED
W: Particle deposition was unsuccessful W: Particle deposition was unsuccessful
The fix deposit command was not able to insert as many atoms as The fix deposit command was not able to insert as many atoms as

8
src/REAX/pair_reax.h
View File

@ -97,6 +97,10 @@ class PairREAX : public Pair {
/* ERROR/WARNING messages: /* 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 E: Reax_defs.h setting for NATDEF is too small
Edit the setting in the ReaxFF library and re-compile the 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 There is a mis-match between LAMMPS atom types and the elements
listed in the ReaxFF force field file. 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.
*/ */

14
src/RIGID/fix_rigid_small.h
View File

@ -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 else the rigid fix contribution to the pressure virial is
incorrect. 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 UNDOCUMENTED
incorrect on this timestep.
W: Computing temperature of portions of rigid bodies 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. 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 E: Inconsistent use of finite-size particles by molecule template molecules
Not all of the molecules define a radius for their constituent 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 to encompass the max distance printed when the fix rigid/small command
was invoked. 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.
*/ */

48
src/atom.h
View File

@ -360,23 +360,29 @@ E: Atom_modify sort and first options cannot be used together
Self-explanatory. 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 UNDOCUMENTED
setting in your Makefile. See Section_start 2.2 of the manual for
more details.
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 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 Number of values per atom line in the data file is not consistent with
the atom style. the atom style.
E: Invalid atom type in Atoms section of data file
UNDOCUMENTED
E: Incorrect velocity format in data file E: Incorrect velocity format in data file
Each atom style defines a format for the Velocity section 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 This is likely due to an immense simulation box that has blown up
to a large size. 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.
*/ */

4
src/atom_vec_body.h
View File

@ -149,4 +149,8 @@ E: Assigning body parameters to non-body atom
Self-explanatory. Self-explanatory.
E: Assigning quat to non-body atom
UNDOCUMENTED
*/ */

12
src/comm.h
View File

@ -163,10 +163,22 @@ E: Comm_modify group != atom_modify first group
Self-explanatory. Self-explanatory.
E: Use cutoff/multi flag to set cutoff in multi mode
UNDOCUMENTED
E: Invalid cutoff in comm_modify command E: Invalid cutoff in comm_modify command
Specified cutoff must be >= 0.0. 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 E: Specified processors != physical processors
The 3d grid of processors defined by the processors command does not The 3d grid of processors defined by the processors command does not

24
src/compute_chunk_atom.h
View File

@ -153,9 +153,17 @@ E: Compute chunk/atom without bins cannot use discard mixed
That discard option only applies to the binning styles. 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 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. Self-explanatory.
E: Compute ID for compute chunk/atom does not exist
Self-explanatory.
E: Molecule IDs too large for compute chunk/atom E: Molecule IDs too large for compute chunk/atom
The IDs must not be larger than can be stored in a 32-bit integer 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. 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 E: Cannot use compute chunk/atom bin z for 2d model
Self-explanatory. Self-explanatory.

4
src/compute_hexorder_atom.h
View File

@ -64,6 +64,10 @@ E: Compute hexorder/atom requires a pair style be defined
Self-explantory. Self-explantory.
E: Compute hexorder/atom cutoff is longer than pairwise cutoff
UNDOCUMENTED
W: More than one compute hexorder/atom W: More than one compute hexorder/atom
It is not efficient to use compute hexorder/atom more than once. It is not efficient to use compute hexorder/atom more than once.

4
src/compute_msd_chunk.h
View File

@ -76,6 +76,10 @@ E: Compute msd/chunk does not use chunk/atom compute
The style of the specified compute is not chunk/atom. 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 E: Compute msd/chunk nchunk is not static
This is required because the MSD cannot be computed consistently if This is required because the MSD cannot be computed consistently if

4
src/compute_orientorder_atom.h
View File

@ -73,6 +73,10 @@ E: Compute orientorder/atom requires a pair style be defined
Self-explantory. Self-explantory.
E: Compute orientorder/atom cutoff is longer than pairwise cutoff
UNDOCUMENTED
W: More than one compute orientorder/atom W: More than one compute orientorder/atom
It is not efficient to use compute orientorder/atom more than once. It is not efficient to use compute orientorder/atom more than once.

4
src/compute_temp.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. command-line option when running LAMMPS to see the offending line.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

4
src/compute_temp_chunk.h
View File

@ -106,4 +106,8 @@ E: Compute temp/chunk does not use chunk/atom compute
The style of the specified compute is not chunk/atom. The style of the specified compute is not chunk/atom.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

4
src/compute_temp_com.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. command-line option when running LAMMPS to see the offending line.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

4
src/compute_temp_deform.h
View File

@ -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 This is probably an error, since it makes little sense to use
compute temp/deform in this case. compute temp/deform in this case.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

4
src/compute_temp_partial.h
View File

@ -65,4 +65,8 @@ E: Compute temp/partial cannot use vz for 2d systemx
Self-explanatory. Self-explanatory.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

4
src/compute_temp_profile.h
View File

@ -83,4 +83,8 @@ E: Compute temp/profile cannot bin z for 2d systems
Self-explanatory. Self-explanatory.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

4
src/compute_temp_ramp.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. command-line option when running LAMMPS to see the offending line.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

4
src/compute_temp_region.h
View File

@ -63,4 +63,8 @@ E: Region ID for compute temp/region does not exist
Self-explanatory. Self-explanatory.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

4
src/compute_temp_sphere.h
View File

@ -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 The specified compute must operate on the same group as the parent
compute. compute.
E: Temperature compute degrees of freedom < 0
UNDOCUMENTED
*/ */

6
src/delete_atoms.h
View File

@ -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 This is because the bonds for that atom style are hardwired in the
molecule template. 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. Self-explanatory.

8
src/displace_atoms.h
View File

@ -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. 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
*/ */

12
src/dump_image.h
View File

@ -135,6 +135,18 @@ E: Dump image persp option is not yet supported
Self-explanatory. 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 E: Dump image requires one snapshot per file
Use a "*" in the filename. Use a "*" in the filename.

12
src/fix_ave_chunk.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. 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 E: Cannot open fix ave/chunk file %s
The specified file cannot be opened. Check that the path and name are 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. 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 E: Fix for fix ave/chunk not computed at compatible time
Fixes generate their values on specific timesteps. Fix ave/chunk is 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 Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process. fix needs to process.
E: Error writing averaged chunk data
UNDOCUMENTED
*/ */

8
src/fix_ave_correlate.h
View File

@ -125,9 +125,17 @@ E: Fix ave/correlate variable is not equal-style variable
Self-explanatory. Self-explanatory.
E: Error writing file header
UNDOCUMENTED
E: Invalid timestep reset for fix ave/correlate E: Invalid timestep reset for fix ave/correlate
Resetting the timestep has invalidated the sequence of timesteps this Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process. fix needs to process.
E: Error writing out correlation data
UNDOCUMENTED
*/ */

8
src/fix_ave_histo.h
View File

@ -213,11 +213,19 @@ E: Variable name for fix ave/histo does not exist
Self-explanatory. Self-explanatory.
E: Error writing file header
UNDOCUMENTED
E: Invalid timestep reset for fix ave/histo E: Invalid timestep reset for fix ave/histo
Resetting the timestep has invalidated the sequence of timesteps this Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process. fix needs to process.
E: Error writing out histogram data
UNDOCUMENTED
E: Cannot open fix ave/histo file %s E: Cannot open fix ave/histo file %s
The specified file cannot be opened. Check that the path and name are The specified file cannot be opened. Check that the path and name are

266
src/fix_ave_histo_weight.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. 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
Self-explanatory. UNDOCUMENTED
E: Fix ID for fix ave/histo does not exist
Self-explanatory.
E: Fix ave/histo input is invalid compute
Self-explanatory.
E: Fix ave/histo input is invalid fix
Self-explanatory.
E: Fix ave/histo input is invalid variable
Self-explanatory.
E: 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
Self-explanatory.
E: Fix ave/histo cannot input local values in scalar mode
Self-explanatory.
E: Fix ave/histo compute does not calculate a global scalar
Self-explanatory.
E: Fix ave/histo compute does not calculate a global vector
Self-explanatory.
E: Fix ave/histo compute vector is accessed out-of-range
Self-explanatory.
E: Fix ave/histo compute does not calculate a global array
Self-explanatory.
E: Fix ave/histo compute array is accessed out-of-range
Self-explanatory.
E: Fix ave/histo compute does not calculate per-atom values
Self-explanatory.
E: 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
Self-explanatory.
E: Fix ave/histo compute does not calculate local values
Self-explanatory.
E: Fix ave/histo compute does not calculate a local vector
Self-explanatory.
E: Fix ave/histo compute does not calculate a local array
Self-explanatory.
E: Fix ave/histo fix does not calculate a global scalar
Self-explanatory.
E: Fix ave/histo fix does not calculate a global vector
Self-explanatory.
E: Fix ave/histo fix vector is accessed out-of-range
Self-explanatory.
E: 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
Self-explanatory.
E: Fix ave/histo fix array is accessed out-of-range
Self-explanatory.
E: Fix ave/histo fix does not calculate per-atom values
Self-explanatory.
E: 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
Self-explanatory.
E: Fix ave/histo fix does not calculate local values
Self-explanatory.
E: Fix ave/histo fix does not calculate a local vector
Self-explanatory.
E: Fix ave/histo fix does not calculate a local array
Self-explanatory.
E: Variable name for fix ave/histo does not exist
Self-explanatory.
E: Invalid timestep reset for fix ave/histo E: Invalid timestep reset for fix ave/histo
Resetting the timestep has invalidated the sequence of timesteps this Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process. fix needs to process.
E: Cannot open fix ave/histo file %s E: Error writing out histogram data
UNDOCUMENTED
U: Compute ID for fix ave/histo does not exist
Self-explanatory.
U: Fix ID for fix ave/histo does not exist
Self-explanatory.
U: Fix ave/histo input is invalid compute
Self-explanatory.
U: Fix ave/histo input is invalid fix
Self-explanatory.
U: Fix ave/histo input is invalid variable
Self-explanatory.
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.
U: Fix ave/histo cannot input per-atom values in scalar mode
Self-explanatory.
U: Fix ave/histo cannot input local values in scalar mode
Self-explanatory.
U: Fix ave/histo compute does not calculate a global scalar
Self-explanatory.
U: Fix ave/histo compute does not calculate a global vector
Self-explanatory.
U: Fix ave/histo compute vector is accessed out-of-range
Self-explanatory.
U: Fix ave/histo compute does not calculate a global array
Self-explanatory.
U: Fix ave/histo compute array is accessed out-of-range
Self-explanatory.
U: Fix ave/histo compute does not calculate per-atom values
Self-explanatory.
U: Fix ave/histo compute does not calculate a per-atom vector
Self-explanatory.
U: Fix ave/histo compute does not calculate a per-atom array
Self-explanatory.
U: Fix ave/histo compute does not calculate local values
Self-explanatory.
U: Fix ave/histo compute does not calculate a local vector
Self-explanatory.
U: Fix ave/histo compute does not calculate a local array
Self-explanatory.
U: Fix ave/histo fix does not calculate a global scalar
Self-explanatory.
U: Fix ave/histo fix does not calculate a global vector
Self-explanatory.
U: Fix ave/histo fix vector is accessed out-of-range
Self-explanatory.
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.
U: Fix ave/histo fix does not calculate a global array
Self-explanatory.
U: Fix ave/histo fix array is accessed out-of-range
Self-explanatory.
U: Fix ave/histo fix does not calculate per-atom values
Self-explanatory.
U: Fix ave/histo fix does not calculate a per-atom vector
Self-explanatory.
U: Fix ave/histo fix does not calculate a per-atom array
Self-explanatory.
U: Fix ave/histo fix does not calculate local values
Self-explanatory.
U: Fix ave/histo fix does not calculate a local vector
Self-explanatory.
U: Fix ave/histo fix does not calculate a local array
Self-explanatory.
U: Variable name for fix ave/histo does not exist
Self-explanatory.
U: Cannot open fix ave/histo file %s
The specified file cannot be opened. Check that the path and name are The specified file cannot be opened. Check that the path and name are
correct. correct.

12
src/fix_ave_time.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. 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 E: Compute ID for fix ave/time does not exist
Self-explanatory. Self-explanatory.
@ -165,6 +169,10 @@ E: Fix ave/time cannot use variable with vector mode
Variables produce scalar values. Variables produce scalar values.
E: Error writing file header
UNDOCUMENTED
E: Fix ave/time cannot set output array intensive/extensive from these inputs 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 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 Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process. fix needs to process.
E: Error writing out time averaged data
UNDOCUMENTED
E: Fix ave/time columns are inconsistent lengths E: Fix ave/time columns are inconsistent lengths
Self-explanatory. Self-explanatory.

16
src/fix_move.h
View File

@ -109,14 +109,6 @@ E: Fix move cannot define z or vz variable for 2d problem
Self-explanatory. 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 E: Zero length rotation vector with fix move
Self-explanatory. 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. 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.
*/ */

8
src/fix_nh.h
View File

@ -212,6 +212,14 @@ E: Invalid fix nvt/npt/nph pressure settings
Settings for coupled dimensions must be the same. 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 E: Fix nvt/npt/nph damping parameters must be > 0.0
Self-explanatory. Self-explanatory.

6
src/fix_nve_limit.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. 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. This will lead to invalid constraint forces in the SHAKE computation.

8
src/fix_nve_sphere.h
View File

@ -53,12 +53,16 @@ E: Fix nve/sphere requires atom style sphere
Self-explanatory. 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 E: Fix nve/sphere requires extended particles
This fix can only be used for particles of a finite size. 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.
*/ */

8
src/fix_property_atom.h
View File

@ -92,6 +92,10 @@ E: Fix property/atom vector name already exists
The name for an integer or floating-point vector must be unique. 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 E: Atom style was redefined after using fix property/atom
This is not allowed. 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 A section of the data file being read by fix property/atom does
not have the correct number of values per line. 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 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 An atom in a section of the data file being read by fix property/atom

4
src/fix_store.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. command-line option when running LAMMPS to see the offending line.
E: Invalid fix store command
UNDOCUMENTED
*/ */

1
src/fix_temp_csvr.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. command-line option when running LAMMPS to see the offending line.
E: Variable name for fix temp/csvr does not exist E: Variable name for fix temp/csvr does not exist
Self-explanatory. Self-explanatory.

6
src/fix_wall_region.h
View File

@ -84,7 +84,11 @@ E: Fix wall/region colloid requires extended particles
One of the particles has radius 0.0. 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 Particles must be "exterior" to the region surface in order for
energy/force to be calculated. energy/force to be calculated.

4
src/group.h
View File

@ -136,6 +136,10 @@ E: Group region ID does not exist
A region ID used in the group command 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 E: Variable name for group does not exist
Self-explanatory. Self-explanatory.

36
src/info.h
View File

@ -41,15 +41,39 @@ class Info : protected Pointers {
/* ERROR/WARNING messages: /* 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 W: Ignoring unknown or incorrect info command flag
Self-explanatory. The an unknown argument was given to the info command. Self-explanatory. The an unknown argument was given to the info command.
Compare your input with the documentation. 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.
*/ */

8
src/input.h
View File

@ -200,6 +200,14 @@ E: Cannot open print file %s
Self-explanatory. 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 E: Angle_coeff command before simulation box is defined
The angle_coeff command cannot be used before a read_data, The angle_coeff command cannot be used before a read_data,

116
src/molecule.h
View File

@ -165,6 +165,10 @@ class Molecule : protected Pointers {
/* ERROR/WARNING messages: /* ERROR/WARNING messages:
E: Illegal ... command
UNDOCUMENTED
E: Molecule template ID must be alphanumeric or underscore characters E: Molecule template ID must be alphanumeric or underscore characters
Self-explanatory. Self-explanatory.
@ -181,9 +185,29 @@ E: Molecule file z center-of-mass must be 0.0 for 2d
Self-explanatory. 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 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. 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 E: Unknown section in molecule file
Self-explanatory. Self-explanatory.
@ -221,30 +249,66 @@ E: Molecule file has special flags but no bonds
Self-explanatory. Self-explanatory.
E: Molecule file has bonds but no special flags
Self-explanatory.
E: Molecule file shake info is incomplete E: Molecule file shake info is incomplete
All 3 SHAKE sections are needed. 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 E: Molecule file z coord must be 0.0 for 2d
Self-explanatory. Self-explanatory.
E: Invalid Types section in molecule file
UNDOCUMENTED
E: Invalid atom type in molecule file E: Invalid atom type in molecule file
Atom types must range from 1 to specified # of types. 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 E: Invalid atom diameter in molecule file
Diameters must be >= 0.0. Diameters must be >= 0.0.
E: Invalid Masses section in molecule file
UNDOCUMENTED
E: Invalid atom mass in molecule file E: Invalid atom mass in molecule file
Masses must be > 0.0. Masses must be > 0.0.
E: Invalid Bonds section in molecule file
UNDOCUMENTED
E: Invalid atom ID in Bonds section of molecule file E: Invalid atom ID in Bonds section of molecule file
Self-explanatory. Self-explanatory.
@ -253,6 +317,10 @@ E: Invalid bond type in Bonds section of molecule file
Self-explanatory. Self-explanatory.
E: Invalid Angles section in molecule file
UNDOCUMENTED
E: Invalid atom ID in Angles section of molecule file E: Invalid atom ID in Angles section of molecule file
Self-explanatory. Self-explanatory.
@ -261,6 +329,10 @@ E: Invalid angle type in Angles section of molecule file
Self-explanatory. Self-explanatory.
E: Invalid Dihedrals section in molecule file
UNDOCUMENTED
E: Invalid atom ID in dihedrals section of molecule file E: Invalid atom ID in dihedrals section of molecule file
Self-explanatory. Self-explanatory.
@ -269,6 +341,10 @@ E: Invalid dihedral type in dihedrals section of molecule file
Self-explanatory. Self-explanatory.
E: Invalid Impropers section in molecule file
UNDOCUMENTED
E: Invalid atom ID in impropers section of molecule file E: Invalid atom ID in impropers section of molecule file
Self-explanatory. Self-explanatory.
@ -277,6 +353,10 @@ E: Invalid improper type in impropers section of molecule file
Self-explanatory. Self-explanatory.
E: Invalid Special Bond Counts section in molecule file
UNDOCUMENTED
E: Molecule file special list does not match special count E: Molecule file special list does not match special count
The number of values in an atom's special list does not match 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. Self-explanatory.
E: Molecule auto special bond generation overflow
UNDOCUMENTED
E:
UNDOCUMENTED
E: Invalid shake flag in molecule file E: Invalid shake flag in molecule file
Self-explanatory. Self-explanatory.
@ -301,6 +389,14 @@ E: Invalid shake angle type in molecule file
Self-explanatory. 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 W: Molecule attributes do not match system attributes
An attribute is specified (e.g. diameter, charge) that is 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 The specified file cannot be opened. Check that the path and name are
correct. correct.
U: No atom count in molecule file
Self-explanatory.
U: Molecule file has bonds but no special flags
Self-explanatory.
*/ */

22
src/neigh_shardlow.h Normal file
View File

@ -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.
*/

8
src/pair.h
View File

@ -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 computed by integrating the density of a periodic system out to
infinity. 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 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 This is likely not what you want to do. The exclusion settings will

20
src/pair_hybrid.h
View File

@ -87,16 +87,16 @@ class PairHybrid : public Pair {
/* ERROR/WARNING messages: /* ERROR/WARNING messages:
E: Cannot yet use pair hybrid with Kokkos
This feature is not yet supported.
E: Illegal ... command E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. 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 E: Pair style hybrid cannot have hybrid as an argument
Self-explanatory. 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 No pair_coeff command used a sub-style specified in the pair_style
command. 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 E: All pair coeffs are not set
All pair coefficients must be set in the data file or by the 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 You are attempting to invoke a single() call on a pair style
that doesn't support it. 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 E: Unknown pair_modify hybrid sub-style
The choice of sub-style is unknown. The choice of sub-style is unknown.

100
src/read_data.h
View File

@ -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 documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line. 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. 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, Self-explanatory.
read_restart, or create_box command.
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 E: Cannot run 2d simulation with nonperiodic Z dimension
Use the boundary command to make the z dimension periodic in order to Use the boundary command to make the z dimension periodic in order to
run a 2d simulation. 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 W: Atom style in data file differs from currently defined atom style
Self-explanatory. 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. 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 E: Bonds defined but no bond types
The data file header lists bonds 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 processors. This is likely due to some atom coordinates being
outside a non-periodic simulation box. outside a non-periodic simulation box.
E: Subsequent read data induced too many bonds per atom
UNDOCUMENTED
E: Bonds assigned incorrectly E: Bonds assigned incorrectly
Bonds read in from the data file were not assigned correctly to atoms. Bonds read in from the data file were not assigned correctly to atoms.
This means there is something invalid about the topology definitions. 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 E: Angles assigned incorrectly
Angles read in from the data file were not assigned correctly to Angles read in from the data file were not assigned correctly to
atoms. This means there is something invalid about the topology atoms. This means there is something invalid about the topology
definitions. definitions.
E: Subsequent read data induced too many dihedrals per atom
UNDOCUMENTED
E: Dihedrals assigned incorrectly E: Dihedrals assigned incorrectly
Dihedrals read in from the data file were not assigned correctly to Dihedrals read in from the data file were not assigned correctly to
atoms. This means there is something invalid about the topology atoms. This means there is something invalid about the topology
definitions. definitions.
E: Subsequent read data induced too many impropers per atom
UNDOCUMENTED
E: Impropers assigned incorrectly E: Impropers assigned incorrectly
Impropers read in from the data file were not assigned correctly to Impropers read in from the data file were not assigned correctly to
atoms. This means there is something invalid about the topology atoms. This means there is something invalid about the topology
definitions. 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 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. 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 correct. If the file is a compressed file, also check that the gzip
executable can be found and run. 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.
*/ */

16
src/read_restart.h
View File

@ -172,6 +172,10 @@ W: Restart file used different boundary settings, using restart file values
Your input script cannot change these restart file settings. 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 E: Invalid flag in header section of restart file
Unrecognized entry in 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 The file does not appear to be a LAMMPS restart file since it doesn't
contain a recognized byte-orderomg flag at the beginning. 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
*/ */

4
src/region.h
View File

@ -100,6 +100,10 @@ E: Variable for region is not equal style
Self-explanatory. Self-explanatory.
E: Can only use Kokkos supported regions with Kokkos package
UNDOCUMENTED
E: Illegal ... command E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the Self-explanatory. Check the input script syntax and compare to the

12
src/respa.h
View File

@ -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 all together (pair), or in pieces (inner/middle/outer). You can't do
both. 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 E: Must set both respa inner and outer
Cannot use just the inner or outer option with respa without using the 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 In the rRESPA integrator, you must define both a inner and outer
setting in order to use a middle setting. 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 E: Invalid order of forces within respa levels
For respa, ordering of force computations within respa levels must For respa, ordering of force computations within respa levels must

32
src/set.h
View File

@ -98,9 +98,29 @@ E: Cannot set non-zero image flag for non-periodic dimension
Self-explanatory. 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 E: Set command integer vector does not exist
@ -146,6 +166,10 @@ E: Cannot set quaternion for atom that has none
Self-explanatory. Self-explanatory.
E: Cannot set quaternion with xy components for 2d system
UNDOCUMENTED
E: Cannot set theta for atom that is not a line E: Cannot set theta for atom that is not a line
Self-explanatory. Self-explanatory.
@ -187,4 +211,8 @@ E: Variable for set command is invalid style
Only atom-style variables can be used. Only atom-style variables can be used.
U: Cannot set meso_rho for this atom style
Self-explanatory.
*/ */

8
src/timer.h
View File

@ -75,3 +75,11 @@ class Timer : protected Pointers {
} }
#endif #endif
/* ERROR/WARNING messages:
E: Illegal ... command
UNDOCUMENTED
*/

8
src/update.h
View File

@ -90,10 +90,6 @@ E: Timestep must be >= 0
Specified timestep is invalid. Specified timestep is invalid.
E: Too big a timestep
Specified timestep is too large.
E: Cannot reset timestep with a time-dependent fix defined E: Cannot reset timestep with a time-dependent fix defined
You cannot reset the timestep when a fix that keeps track of elapsed 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 Thus you cannot change the timestep when one or more of these
are defined. are defined.
U: Too big a timestep
Specified timestep is too large.
*/ */

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