remove error docs from header files
This commit is contained in:
@ -45,16 +45,3 @@ class DumpAtomADIOS : public DumpAtom {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Cannot open dump file %s
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The output file for the dump command cannot be opened. Check that the
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path and name are correct.
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E: Too much per-proc info for dump
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Number of local atoms times number of columns must fit in a 32-bit
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integer for dump.
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*/
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@ -44,42 +44,3 @@ class DumpCustomADIOS : public DumpCustom {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Cannot open dump file %s
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The output file for the dump command cannot be opened. Check that the
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path and name are correct.
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E: Too much per-proc info for dump
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Number of local atoms times number of columns must fit in a 32-bit
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integer for dump.
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E: Dump_modify format string is too short
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There are more fields to be dumped in a line of output than your
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format string specifies.
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E: Could not find dump custom compute ID
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Self-explanatory.
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E: Could not find dump custom fix ID
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Self-explanatory.
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E: Dump custom and fix not computed at compatible times
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The fix must produce per-atom quantities on timesteps that dump custom
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needs them.
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E: Could not find dump custom variable name
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Self-explanatory.
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E: Region ID for dump custom does not exist
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Self-explanatory.
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*/
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@ -42,20 +42,3 @@ class ComputeERotateAsphere : public Compute {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Compute erotate/asphere requires atom style ellipsoid or line or tri
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Self-explanatory.
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E: Compute erotate/asphere requires extended particles
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This compute cannot be used with point particles.
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*/
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@ -53,42 +53,3 @@ class ComputeTempAsphere : public Compute {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Compute temp/asphere requires atom style ellipsoid
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Self-explanatory.
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E: Compute temp/asphere requires extended particles
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This compute cannot be used with point particles.
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E: Could not find compute ID for temperature bias
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Self-explanatory.
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E: Bias compute does not calculate temperature
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The specified compute must compute temperature.
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E: Bias compute does not calculate a velocity bias
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The specified compute must compute a bias for temperature.
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E: Bias compute group does not match compute group
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The specified compute must operate on the same group as the parent
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compute.
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E: Temperature compute degrees of freedom < 0
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This should not happen if you are calculating the temperature
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on a valid set of atoms.
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*/
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@ -36,15 +36,3 @@ class FixNHAsphere : public FixNH {
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Compute nvt/nph/npt asphere requires atom style ellipsoid
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Self-explanatory.
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E: Fix nvt/nph/npt asphere requires extended particles
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The shape setting for a particle in the fix group has shape = 0.0,
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which means it is a point particle.
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*/
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@ -34,14 +34,3 @@ class FixNPHAsphere : public FixNHAsphere {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Temperature control can not be used with fix nph/asphere
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Self-explanatory.
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E: Pressure control must be used with fix nph/asphere
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Self-explanatory.
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*/
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@ -34,14 +34,3 @@ class FixNPTAsphere : public FixNHAsphere {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Temperature control must be used with fix npt/asphere
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Self-explanatory.
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E: Pressure control must be used with fix npt/asphere
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Self-explanatory.
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*/
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@ -40,14 +40,3 @@ class FixNVEAsphere : public FixNVE {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Compute nve/asphere requires atom style ellipsoid
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Self-explanatory.
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E: Fix nve/asphere requires extended particles
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This fix can only be used for particles with a shape setting.
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*/
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@ -40,20 +40,3 @@ class FixNVEAsphereNoforce : public FixNVENoforce {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Fix nve/asphere/noforce requires atom style ellipsoid
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Self-explanatory.
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E: Fix nve/asphere/noforce requires extended particles
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One of the particles is not an ellipsoid.
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*/
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@ -42,24 +42,3 @@ class FixNVELine : public FixNVE {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Fix nve/line requires atom style line
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Self-explanatory.
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E: Fix nve/line can only be used for 2d simulations
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Self-explanatory.
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E: Fix nve/line requires line particles
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Self-explanatory.
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*/
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@ -42,24 +42,3 @@ class FixNVETri : public FixNVE {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Fix nve/tri requires atom style tri
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Self-explanatory.
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E: Fix nve/tri can only be used for 3d simulations
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Self-explanatory.
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E: Fix nve/tri requires tri particles
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Self-explanatory.
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*/
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@ -34,14 +34,3 @@ class FixNVTAsphere : public FixNHAsphere {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Temperature control must be used with fix nvt/asphere
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Self-explanatory.
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E: Pressure control can not be used with fix nvt/asphere
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Self-explanatory.
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*/
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@ -73,33 +73,3 @@ class PairGayBerne : public Pair {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Incorrect args for pair coefficients
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Self-explanatory. Check the input script or data file.
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E: Pair gayberne requires atom style ellipsoid
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Self-explanatory.
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E: Pair gayberne requires atoms with same type have same shape
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Self-explanatory.
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E: Pair gayberne epsilon a,b,c coeffs are not all set
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Each atom type involved in pair_style gayberne must
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have these 3 coefficients set at least once.
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E: Bad matrix inversion in mldivide3
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This error should not occur unless the matrix is badly formed.
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*/
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@ -63,25 +63,3 @@ class PairLineLJ : public Pair {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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E: Incorrect args for pair coefficients
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Self-explanatory. Check the input script or data file.
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E: Pair line/lj requires atom style line
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Self-explanatory.
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E: All pair coeffs are not set
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All pair coefficients must be set in the data file or by the
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pair_coeff command before running a simulation.
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*/
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@ -93,36 +93,3 @@ class PairRESquared : public Pair {
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#endif
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#endif
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#endif
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#endif
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/* ERROR/WARNING messages:
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E: Illegal ... command
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Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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command-line option when running LAMMPS to see the offending line.
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||||||
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E: Incorrect args for pair coefficients
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Self-explanatory. Check the input script or data file.
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E: Pair resquared requires atom style ellipsoid
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Self-explanatory.
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E: Pair resquared requires atoms with same type have same shape
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Self-explanatory.
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E: Pair resquared epsilon a,b,c coeffs are not all set
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Self-explanatory.
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E: Pair resquared epsilon and sigma coeffs are not all set
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Self-explanatory.
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E: Bad matrix inversion in mldivide3
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This error should not occur unless the matrix is badly formed.
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*/
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@ -61,20 +61,3 @@ class PairTriLJ : public Pair {
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#endif
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#endif
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#endif
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#endif
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||||||
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/* ERROR/WARNING messages:
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|
||||||
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||||||
E: Illegal ... command
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|
||||||
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|
||||||
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: Incorrect args for pair coefficients
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|
||||||
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|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair tri/lj requires atom style tri
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||||||
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||||||
Self-explanatory.
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||||||
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*/
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@ -81,41 +81,3 @@ class ComputePressureBocs : public Compute {
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#endif
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#endif
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||||||
#endif
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#endif
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||||||
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/* ERROR/WARNING messages:
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|
||||||
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||||||
E: Illegal ... command
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|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
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|
||||||
command-line option when running LAMMPS to see the offending line.
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||||||
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E: Compute pressure must use group all
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Virial contributions computed by potentials (pair, bond, etc) are
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computed on all atoms.
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E: Could not find compute pressure temperature ID
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The compute ID for calculating temperature does not exist.
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E: Compute pressure temperature ID does not compute temperature
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The compute ID assigned to a pressure computation must compute
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temperature.
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E: Compute pressure requires temperature ID to include kinetic energy
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The keflag cannot be used unless a temperature compute is provided.
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E: Virial was not tallied on needed timestep
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You are using a thermo keyword that requires potentials to
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have tallied the virial, but they didn't on this timestep. See the
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variable doc page for ideas on how to make this work.
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E: Must use 'kspace_modify pressure/scalar no' for tensor components with kspace_style msm
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||||||
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|
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Otherwise MSM will compute only a scalar pressure. See the kspace_modify
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command for details on this setting.
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||||||
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||||||
*/
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|
||||||
|
|||||||
@ -170,135 +170,3 @@ class FixBocs : public Fix {
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|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: CG basis type XXX is not recognized
|
|
||||||
|
|
||||||
See second line of message for supported basis types.
|
|
||||||
|
|
||||||
E: Target temperature for fix bocs cannot be 0.0
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Invalid fix bocs command for a 2d simulation
|
|
||||||
|
|
||||||
Cannot control z dimension in a 2d model.
|
|
||||||
|
|
||||||
E: Fix bocs dilate group ID does not exist
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Invalid fix bocs command pressure settings
|
|
||||||
|
|
||||||
If multiple dimensions are coupled, those dimensions must be
|
|
||||||
specified.
|
|
||||||
|
|
||||||
E: Cannot use fix bocs on a non-periodic dimension
|
|
||||||
|
|
||||||
When specifying a diagonal pressure component, the dimension must be
|
|
||||||
periodic.
|
|
||||||
|
|
||||||
E: Cannot use fix bocs on a 2nd non-periodic dimension
|
|
||||||
|
|
||||||
When specifying an off-diagonal pressure component, the 2nd of the two
|
|
||||||
dimensions must be periodic. E.g. if the xy component is specified,
|
|
||||||
then the y dimension must be periodic.
|
|
||||||
|
|
||||||
E: Cannot use fix bocs with yz scaling when z is non-periodic dimension
|
|
||||||
|
|
||||||
The 2nd dimension in the barostatted tilt factor must be periodic.
|
|
||||||
|
|
||||||
E: Cannot use fix bocs with xz scaling when z is non-periodic dimension
|
|
||||||
|
|
||||||
The 2nd dimension in the barostatted tilt factor must be periodic.
|
|
||||||
|
|
||||||
E: Cannot use fix bocs with xy scaling when y is non-periodic dimension
|
|
||||||
|
|
||||||
The 2nd dimension in the barostatted tilt factor must be periodic.
|
|
||||||
|
|
||||||
E: Cannot use fix bocs with both yz dynamics and yz scaling
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Cannot use fix bocs with both xz dynamics and xz scaling
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Cannot use fix bocs with both xy dynamics and xy scaling
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Can not specify Pxy/Pxz/Pyz in fix bocs with non-triclinic box
|
|
||||||
|
|
||||||
Only triclinic boxes can be used with off-diagonal pressure components.
|
|
||||||
See the region prism command for details.
|
|
||||||
|
|
||||||
E: Invalid fix bocs pressure settings
|
|
||||||
|
|
||||||
Settings for coupled dimensions must be the same.
|
|
||||||
|
|
||||||
E: Using update dipole flag requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Using update dipole flag requires atom attribute mu
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: The dlm flag must be used with update dipole
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix bocs damping parameters must be > 0.0
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Cannot use fix npt and fix deform on same component of stress tensor
|
|
||||||
|
|
||||||
This would be changing the same box dimension twice.
|
|
||||||
|
|
||||||
E: Temperature ID for fix bocs does not exist
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pressure ID for fix bocs does not exist
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix bocs has tilted box too far in one step - periodic cell is too far from equilibrium state
|
|
||||||
|
|
||||||
Self-explanatory. The change in the box tilt is too extreme
|
|
||||||
on a short timescale.
|
|
||||||
|
|
||||||
E: Could not find fix_modify temperature ID
|
|
||||||
|
|
||||||
The compute ID for computing temperature does not exist.
|
|
||||||
|
|
||||||
E: Fix_modify temperature ID does not compute temperature
|
|
||||||
|
|
||||||
The compute ID assigned to the fix must compute temperature.
|
|
||||||
|
|
||||||
W: Temperature for fix modify is not for group all
|
|
||||||
|
|
||||||
The temperature compute is being used with a pressure calculation
|
|
||||||
which does operate on group all, so this may be inconsistent.
|
|
||||||
|
|
||||||
E: Pressure ID for fix modify does not exist
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Could not find fix_modify pressure ID
|
|
||||||
|
|
||||||
The compute ID for computing pressure does not exist.
|
|
||||||
|
|
||||||
E: Fix_modify pressure ID does not compute pressure
|
|
||||||
|
|
||||||
The compute ID assigned to the fix must compute pressure.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -54,26 +54,3 @@ class BodyNparticle : public Body {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Invalid body nparticle command
|
|
||||||
|
|
||||||
Arguments in atom-style command are not correct.
|
|
||||||
|
|
||||||
E: Incorrect # of integer values in Bodies section of data file
|
|
||||||
|
|
||||||
See doc page for body style.
|
|
||||||
|
|
||||||
E: Incorrect integer value in Bodies section of data file
|
|
||||||
|
|
||||||
See doc page for body style.
|
|
||||||
|
|
||||||
E: Incorrect # of floating-point values in Bodies section of data file
|
|
||||||
|
|
||||||
See doc page for body style.
|
|
||||||
|
|
||||||
E: Insufficient Jacobi rotations for body nparticle
|
|
||||||
|
|
||||||
Eigensolve for rigid body was not sufficiently accurate.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -58,31 +58,3 @@ class BodyRoundedPolygon : public Body {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Invalid body rounded/polygon 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.
|
|
||||||
|
|
||||||
E: Incorrect integer value in Bodies section of data file
|
|
||||||
|
|
||||||
See doc page for body style.
|
|
||||||
|
|
||||||
E: Incorrect # of floating-point values in Bodies section of data file
|
|
||||||
|
|
||||||
See doc page for body style.
|
|
||||||
|
|
||||||
E: Insufficient Jacobi rotations for body nparticle
|
|
||||||
|
|
||||||
Eigensolve for rigid body was not sufficiently accurate.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -60,31 +60,3 @@ class BodyRoundedPolyhedron : public Body {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Invalid body rounded/polyhedron 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.
|
|
||||||
|
|
||||||
E: Incorrect integer value in Bodies section of data file
|
|
||||||
|
|
||||||
See doc page for body style.
|
|
||||||
|
|
||||||
E: Incorrect # of floating-point values in Bodies section of data file
|
|
||||||
|
|
||||||
See doc page for body style.
|
|
||||||
|
|
||||||
E: Insufficient Jacobi rotations for body rounded/polyhedron
|
|
||||||
|
|
||||||
Eigensolve for rigid body was not sufficiently accurate.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -50,24 +50,3 @@ class ComputeBodyLocal : public Compute {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Compute body/local requires atom style body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Invalid index in compute body/local command
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Invalid index for non-body particles in compute body/local command
|
|
||||||
|
|
||||||
Only indices 1,2,3 can be used for non-body particles.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -51,42 +51,3 @@ class ComputeTempBody : public Compute {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Compute temp/body requires atom style body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Compute temp/body requires bodies
|
|
||||||
|
|
||||||
This compute can only be applied to body particles.
|
|
||||||
|
|
||||||
E: Could not find compute ID for temperature bias
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Bias compute does not calculate temperature
|
|
||||||
|
|
||||||
The specified compute must compute temperature.
|
|
||||||
|
|
||||||
E: Bias compute does not calculate a velocity bias
|
|
||||||
|
|
||||||
The specified compute must compute a bias for temperature.
|
|
||||||
|
|
||||||
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
|
|
||||||
|
|
||||||
This should not happen if you are calculating the temperature
|
|
||||||
on a valid set of atoms.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -36,14 +36,3 @@ class FixNHBody : public FixNH {
|
|||||||
|
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Compute nvt/nph/npt body requires atom style body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix nvt/nph/npt body requires bodies
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -34,14 +34,3 @@ class FixNPHBody : public FixNHBody {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Temperature control can not be used with fix nph/body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pressure control must be used with fix nph/body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -34,14 +34,3 @@ class FixNPTBody : public FixNHBody {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Temperature control must be used with fix npt/body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pressure control must be used with fix npt/body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -40,14 +40,3 @@ class FixNVEBody : public FixNVE {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Fix nve/body requires atom style body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix nve/body requires bodies
|
|
||||||
|
|
||||||
This fix can only be used for particles that are bodies.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -34,14 +34,3 @@ class FixNVTBody : public FixNHBody {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Temperature control must be used with fix nvt/body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pressure control can not be used with fix nvt/body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -94,33 +94,3 @@ class FixWallBodyPolygon : public Fix {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Fix wall/body/polygon requires atom style body rounded/polygon
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Cannot use wall in periodic dimension
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Cannot wiggle and shear fix wall/body/polygon
|
|
||||||
|
|
||||||
Cannot specify both options at the same time.
|
|
||||||
|
|
||||||
E: Invalid wiggle direction for fix wall/body/polygon
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix wall/body/polygon is incompatible with Pair style
|
|
||||||
|
|
||||||
Must use a body pair style to define the parameters needed for
|
|
||||||
this fix.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -105,33 +105,3 @@ class FixWallBodyPolyhedron : public Fix {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Fix wall/body/polyhedron requires atom style body rounded/polyhedron
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Cannot use wall in periodic dimension
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Cannot wiggle and shear fix wall/body/polygon
|
|
||||||
|
|
||||||
Cannot specify both options at the same time.
|
|
||||||
|
|
||||||
E: Invalid wiggle direction for fix wall/body/polygon
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix wall/body/polygon is incompatible with Pair style
|
|
||||||
|
|
||||||
Must use a body pair style to define the parameters needed for
|
|
||||||
this fix.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -59,24 +59,3 @@ class PairBodyNparticle : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair body requires atom style body
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair body requires body style nparticle
|
|
||||||
|
|
||||||
This pair style is specific to the nparticle body style.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -109,24 +109,3 @@ class PairBodyRoundedPolygon : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair body/rounded/polygon requires atom style body rounded/polygon
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair body requires body style rounded/polygon
|
|
||||||
|
|
||||||
This pair style is specific to the rounded/polygon body style.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -163,24 +163,3 @@ class PairBodyRoundedPolyhedron : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair body/rounded/polyhedron requires atom style body rounded/polyhedron
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair body requires body style rounded/polyhedron
|
|
||||||
|
|
||||||
This pair style is specific to the rounded/polyhedron body style.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -60,23 +60,3 @@ class AtomVecBPMSphere : public AtomVec {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Per-processor system is too big
|
|
||||||
|
|
||||||
The number of owned atoms plus ghost atoms on a single
|
|
||||||
processor must fit in 32-bit integer.
|
|
||||||
|
|
||||||
E: Invalid atom type in Atoms section of data file
|
|
||||||
|
|
||||||
Atom types must range from 1 to specified # of types.
|
|
||||||
|
|
||||||
E: Invalid radius in Atoms section of data file
|
|
||||||
|
|
||||||
Radius must be >= 0.0.
|
|
||||||
|
|
||||||
E: Invalid density in Atoms section of data file
|
|
||||||
|
|
||||||
Density value cannot be <= 0.0.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -71,28 +71,3 @@ class BondBPM : public Bond {
|
|||||||
|
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Cannot find fix store/local
|
|
||||||
|
|
||||||
Fix id cannot be found.
|
|
||||||
|
|
||||||
E: Illegal bond_style command
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Bond style bpm must include at least one value to output
|
|
||||||
|
|
||||||
Must include at least one bond property to store in fix store/local
|
|
||||||
|
|
||||||
E: Bond style bpm cannot be used with 3,4-body interactions
|
|
||||||
|
|
||||||
No angle, dihedral, or improper styles can be defined when using
|
|
||||||
bond style bpm.
|
|
||||||
|
|
||||||
E: Bond style bpm cannot be used with atom style template
|
|
||||||
|
|
||||||
This bond style can change the bond topology which is not
|
|
||||||
allowed with this atom style.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -58,26 +58,3 @@ class BondBPMRotational : public BondBPM {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Atom missing in BPM bond
|
|
||||||
|
|
||||||
Bonded atom cannot be found
|
|
||||||
|
|
||||||
E: Incorrect args for bond coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Bond bpm/rotational requires atom style bpm/sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Bond style bpm requires 1-3 and 1-4 special weights of 1.0
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
W: Bond style bpm/rotational not intended for 2d use, may be inefficient
|
|
||||||
|
|
||||||
This bond style will perform a lot of unnecessary calculations in 2d
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -51,18 +51,3 @@ class BondBPMSpring : public BondBPM {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Atom missing in BPM bond
|
|
||||||
|
|
||||||
Bonded atom cannot be found
|
|
||||||
|
|
||||||
E: Incorrect args for bond coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Bond style bpm requires 1-3 and 1-4 special weights of 1.0
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -44,18 +44,3 @@ class ComputeNBondAtom : public Compute {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Per-atom energy was not tallied on needed timestep
|
|
||||||
|
|
||||||
You are using a thermo keyword that requires potentials to
|
|
||||||
have tallied energy, but they didn't on this timestep. See the
|
|
||||||
variable doc page for ideas on how to make this work.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -43,29 +43,3 @@ class FixNVEBPMSphere : public FixNVE {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Fix nve/bpm/sphere disc requires 2d simulation
|
|
||||||
|
|
||||||
UNDOCUMENTED
|
|
||||||
|
|
||||||
E: Fix nve/bpm/sphere requires atom style bpm/sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix nve/bpm/sphere update dipole requires atom attribute mu
|
|
||||||
|
|
||||||
An atom style with this attribute is needed.
|
|
||||||
|
|
||||||
E: Fix nve/bpm/sphere requires extended particles
|
|
||||||
|
|
||||||
This fix can only be used for particles of a finite size.
|
|
||||||
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -49,16 +49,3 @@ class PairBPMSpring : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -39,22 +39,3 @@ class FixBrownian : public FixBrownianBase {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal fix brownian command.
|
|
||||||
|
|
||||||
Wrong number/type of input arguments.
|
|
||||||
|
|
||||||
E: Fix brownian viscous drag coefficient must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian diffusion coefficient must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian seed must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -43,40 +43,3 @@ class FixBrownianAsphere : public FixBrownianBase {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal fix brownian/asphere command.
|
|
||||||
|
|
||||||
Wrong number/type of input arguments.
|
|
||||||
|
|
||||||
E: Compute brownian/asphere requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Compute brownian/asphere requires atom style ellipsoid
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Compute brownian/asphere dipole requires atom attribute mu
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian/asphere translational viscous drag coefficient must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian/asphere rotational viscous drag coefficient must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian/asphere translational diffusion coefficient must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian/asphere rotational diffusion coefficient must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian/asphere seed must be > 0.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -58,43 +58,3 @@ class FixBrownianBase : public Fix {
|
|||||||
} // namespace LAMMPS_NS
|
} // namespace LAMMPS_NS
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal fix brownian command.
|
|
||||||
|
|
||||||
Wrong number/type of input arguments.
|
|
||||||
|
|
||||||
E: Fix brownian gamma_t_eigen values must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian gamma_r_eigen values must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian seed must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian temp must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian gamma_t must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian gamma_r must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian rotation_temp must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Do not explicitly set planar_rotation for 2D simulation
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -40,40 +40,3 @@ class FixBrownianSphere : public FixBrownianBase {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal fix brownian/sphere command.
|
|
||||||
|
|
||||||
Wrong number/type of input arguments.
|
|
||||||
|
|
||||||
E: Compute brownian/sphere requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Compute brownian/sphere requires atom attribute mu
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Compute brownian/sphere requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian/sphere translational viscous drag coefficient must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian/sphere rotational viscous drag coefficient must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian/sphere translational diffusion coefficient must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian/sphere rotational diffusion coefficient must be > 0.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix brownian/sphere seed must be > 0.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -47,22 +47,3 @@ class FixPropelSelf : public Fix {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal fix propel/self command.
|
|
||||||
|
|
||||||
Wrong number/type of input arguments.
|
|
||||||
|
|
||||||
E: Fix propel/self requires atom attribute mu with option dipole.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix propel/self requires atom style ellipsoid with option quat.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
Fix propel/self requires extended particles with option quat.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -41,6 +41,3 @@ class AtomVecOxdna : public AtomVec {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -35,29 +35,3 @@ class BondOxdna2Fene : public BondOxdnaFene {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
W: FENE bond too long: %ld %d %d %g
|
|
||||||
|
|
||||||
A FENE bond has stretched dangerously far. It's interaction strength
|
|
||||||
will be truncated to attempt to prevent the bond from blowing up.
|
|
||||||
|
|
||||||
E: Bad FENE bond
|
|
||||||
|
|
||||||
Two atoms in a FENE bond have become so far apart that the bond cannot
|
|
||||||
be computed.
|
|
||||||
|
|
||||||
E: Incorrect args for bond coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
W: Use special bonds = 0,1,1 with bond style oxdna
|
|
||||||
|
|
||||||
Most FENE models need this setting for the special_bonds command.
|
|
||||||
|
|
||||||
W: FENE bond too long: %ld %g
|
|
||||||
|
|
||||||
A FENE bond has stretched dangerously far. It's interaction strength
|
|
||||||
will be truncated to attempt to prevent the bond from blowing up.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -51,29 +51,3 @@ class BondOxdnaFene : public Bond {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
W: FENE bond too long: %ld %d %d %g
|
|
||||||
|
|
||||||
A FENE bond has stretched dangerously far. It's interaction strength
|
|
||||||
will be truncated to attempt to prevent the bond from blowing up.
|
|
||||||
|
|
||||||
E: Bad FENE bond
|
|
||||||
|
|
||||||
Two atoms in a FENE bond have become so far apart that the bond cannot
|
|
||||||
be computed.
|
|
||||||
|
|
||||||
E: Incorrect args for bond coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
W: Use special bonds = 0,1,1 with bond style oxdna
|
|
||||||
|
|
||||||
Most FENE models need this setting for the special_bonds command.
|
|
||||||
|
|
||||||
W: FENE bond too long: %ld %g
|
|
||||||
|
|
||||||
A FENE bond has stretched dangerously far. It's interaction strength
|
|
||||||
will be truncated to attempt to prevent the bond from blowing up.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -36,29 +36,3 @@ class BondOxrna2Fene : public BondOxdnaFene {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
W: FENE bond too long: %ld %d %d %g
|
|
||||||
|
|
||||||
A FENE bond has stretched dangerously far. It's interaction strength
|
|
||||||
will be truncated to attempt to prevent the bond from blowing up.
|
|
||||||
|
|
||||||
E: Bad FENE bond
|
|
||||||
|
|
||||||
Two atoms in a FENE bond have become so far apart that the bond cannot
|
|
||||||
be computed.
|
|
||||||
|
|
||||||
E: Incorrect args for bond coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
W: Use special bonds = 0,1,1 with bond style oxrna
|
|
||||||
|
|
||||||
Most FENE models need this setting for the special_bonds command.
|
|
||||||
|
|
||||||
W: FENE bond too long: %ld %g
|
|
||||||
|
|
||||||
A FENE bond has stretched dangerously far. It's interaction strength
|
|
||||||
will be truncated to attempt to prevent the bond from blowing up.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -55,14 +55,3 @@ class FixNVEDot : public FixNVE {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Compute nve/dot requires atom style ellipsoid
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix nve/dot requires extended particles
|
|
||||||
|
|
||||||
This fix can only be used for particles with a shape setting.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -65,14 +65,3 @@ class FixNVEDotcLangevin : public FixNVE {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Compute nve/dotc/langevin requires atom style ellipsoid
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix nve/dotc/langevin requires extended particles
|
|
||||||
|
|
||||||
This fix can only be used for particles with a shape setting.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -65,16 +65,3 @@ class PairOxdna2Coaxstk : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -55,16 +55,3 @@ class PairOxdna2Dh : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -36,16 +36,3 @@ class PairOxdna2Excv : public PairOxdnaExcv {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -67,16 +67,3 @@ class PairOxdnaCoaxstk : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -64,16 +64,3 @@ class PairOxdnaExcv : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -71,16 +71,3 @@ class PairOxdnaHbond : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -71,16 +71,3 @@ class PairOxdnaStk : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -69,16 +69,3 @@ class PairOxdnaXstk : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -36,16 +36,3 @@ class PairOxrna2Dh : public PairOxdna2Dh {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -36,16 +36,3 @@ class PairOxrna2Excv : public PairOxdnaExcv {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -34,16 +34,3 @@ class PairOxrna2Hbond : public PairOxdnaHbond {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -72,16 +72,3 @@ class PairOxrna2Stk : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -66,16 +66,3 @@ class PairOxrna2Xstk : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -44,11 +44,3 @@ class PairLJSDKCoulMSM : public PairLJSDKCoulLong {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Must use 'kspace_modify pressure/scalar no' with Pair style
|
|
||||||
|
|
||||||
The kspace scalar pressure option is not (yet) compatible with at least one of
|
|
||||||
the defined Pair styles.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -50,10 +50,3 @@ class AngleClass2 : public Angle {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Incorrect args for angle coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -48,10 +48,3 @@ class BondClass2 : public Bond {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Incorrect args for bond coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -55,19 +55,3 @@ class DihedralClass2 : public Dihedral {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
W: Dihedral problem: %d %ld %d %d %d %d
|
|
||||||
|
|
||||||
Conformation of the 4 listed dihedral atoms is extreme; you may want
|
|
||||||
to check your simulation geometry.
|
|
||||||
|
|
||||||
E: Invalid coeffs for this dihedral style
|
|
||||||
|
|
||||||
Cannot set class 2 coeffs in data file for this dihedral style.
|
|
||||||
|
|
||||||
E: Incorrect args for dihedral coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -50,15 +50,3 @@ class ImproperClass2 : public Improper {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
W: Improper problem: %d %ld %d %d %d %d
|
|
||||||
|
|
||||||
Conformation of the 4 listed improper atoms is extreme; you may want
|
|
||||||
to check your simulation geometry.
|
|
||||||
|
|
||||||
E: Incorrect args for improper coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -59,14 +59,3 @@ class PairLJClass2 : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
E: Illegal ... command
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
E: Pair cutoff < Respa interior cutoff
|
|
||||||
One or more pairwise cutoffs are too short to use with the specified
|
|
||||||
rRESPA cutoffs.
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -57,20 +57,3 @@ class PairLJClass2CoulCut : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair style lj/class2/coul/cut requires atom attribute q
|
|
||||||
|
|
||||||
The atom style defined does not have this attribute.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -63,29 +63,3 @@ class PairLJClass2CoulLong : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair style lj/class2/coul/long requires atom attribute q
|
|
||||||
|
|
||||||
The atom style defined does not have this attribute.
|
|
||||||
|
|
||||||
E: Pair style requires a KSpace style
|
|
||||||
|
|
||||||
No kspace style is defined.
|
|
||||||
|
|
||||||
E: Pair cutoff < Respa interior cutoff
|
|
||||||
|
|
||||||
One or more pairwise cutoffs are too short to use with the specified
|
|
||||||
rRESPA cutoffs.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -40,19 +40,3 @@ class FixWallColloid : public FixWall {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Fix wall/colloid requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Fix wall/colloid requires extended particles
|
|
||||||
|
|
||||||
One of the particles has radius 0.0.
|
|
||||||
|
|
||||||
E: Particle on or inside fix wall surface
|
|
||||||
|
|
||||||
Particles must be "exterior" to the wall in order for energy/force to
|
|
||||||
be calculated.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -63,40 +63,3 @@ class PairBrownian : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
W: Cannot include log terms without 1/r terms; setting flagHI to 1
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair brownian requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
W: Pair brownian needs newton pair on for momentum conservation
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair brownian requires extended particles
|
|
||||||
|
|
||||||
One of the particles has radius 0.0.
|
|
||||||
|
|
||||||
E: Pair brownian requires monodisperse particles
|
|
||||||
|
|
||||||
All particles must be the same finite size.
|
|
||||||
|
|
||||||
E: Cannot use multiple fix wall commands with pair brownian
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -38,22 +38,3 @@ class PairBrownianPoly : public PairBrownian {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Pair brownian/poly requires newton pair off
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair brownian/poly requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair brownian/poly requires extended particles
|
|
||||||
|
|
||||||
One of the particles has radius 0.0.
|
|
||||||
|
|
||||||
E: Cannot use multiple fix wall commands with pair brownian
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -58,28 +58,3 @@ class PairColloid : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Overlapping small/large in pair colloid
|
|
||||||
|
|
||||||
This potential is infinite when there is an overlap.
|
|
||||||
|
|
||||||
E: Overlapping large/large in pair colloid
|
|
||||||
|
|
||||||
This potential is infinite when there is an overlap.
|
|
||||||
|
|
||||||
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: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Invalid d1 or d2 value for pair colloid coeff
|
|
||||||
|
|
||||||
Neither d1 or d2 can be < 0.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -64,40 +64,3 @@ class PairLubricate : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
W: Cannot include log terms without 1/r terms; setting flagHI to 1
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair lubricate requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair lubricate requires ghost atoms store velocity
|
|
||||||
|
|
||||||
Use the comm_modify vel yes command to enable this.
|
|
||||||
|
|
||||||
E: Pair lubricate requires monodisperse particles
|
|
||||||
|
|
||||||
All particles must be the same finite size.
|
|
||||||
|
|
||||||
E: Using pair lubricate with inconsistent fix deform remap option
|
|
||||||
|
|
||||||
Must use remap v option with fix deform with this pair style.
|
|
||||||
|
|
||||||
E: Cannot use multiple fix wall commands with pair lubricate
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -79,36 +79,3 @@ class PairLubricateU : public Pair {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
W: Cannot include log terms without 1/r terms; setting flagHI to 1.
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair lubricateU requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair lubricateU requires ghost atoms store velocity
|
|
||||||
|
|
||||||
Use the comm_modify vel yes command to enable this.
|
|
||||||
|
|
||||||
E: Pair lubricateU requires monodisperse particles
|
|
||||||
|
|
||||||
All particles must be the same finite size.
|
|
||||||
|
|
||||||
E: Cannot use multiple fix wall commands with pair lubricateU
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -48,36 +48,3 @@ class PairLubricateUPoly : public PairLubricateU {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
W: Cannot include log terms without 1/r terms; setting flagHI to 1
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair lubricateU/poly requires newton pair off
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair lubricateU/poly requires ghost atoms store velocity
|
|
||||||
|
|
||||||
Use the comm_modify vel yes command to enable this.
|
|
||||||
|
|
||||||
E: Pair lubricate/poly requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair lubricate/poly requires extended particles
|
|
||||||
|
|
||||||
One of the particles has radius 0.0.
|
|
||||||
|
|
||||||
E: Cannot use multiple fix wall commands with pair lubricateU
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -37,34 +37,3 @@ class PairLubricatePoly : public PairLubricate {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Pair lubricate/poly requires newton pair off
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair lubricate/poly requires ghost atoms store velocity
|
|
||||||
|
|
||||||
Use the comm_modify vel yes command to enable this.
|
|
||||||
|
|
||||||
E: Pair lubricate/poly requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair lubricate/poly requires extended particles
|
|
||||||
|
|
||||||
One of the particles has radius 0.0.
|
|
||||||
|
|
||||||
E: Using pair lubricate with inconsistent fix deform remap option
|
|
||||||
|
|
||||||
Must use remap v option with fix deform with this pair style.
|
|
||||||
|
|
||||||
E: Cannot use multiple fix wall commands with pair lubricate/poly
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Using pair lubricate/poly with inconsistent fix deform remap option
|
|
||||||
|
|
||||||
If fix deform is used, the remap v option is required.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -39,14 +39,3 @@ class PairYukawaColloid : public PairYukawa {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Pair yukawa/colloid requires atom style sphere
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Pair yukawa/colloid requires atoms with same type have same radius
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -98,54 +98,3 @@ class FixColvars : public Fix {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Cannot use fix colvars for atoms with rmass attribute
|
|
||||||
|
|
||||||
The colvars library assigns atom masses per atom type, thus atom styles
|
|
||||||
which allow setting individual per atom masses are not supported.
|
|
||||||
|
|
||||||
E: Missing argument to keyword
|
|
||||||
|
|
||||||
Self-explanatory. A keyword was recognized, but no corresponding value
|
|
||||||
found. Check the input script syntax and compare to the documentation
|
|
||||||
for the command.
|
|
||||||
|
|
||||||
E: Incorrect fix colvars unwrap flag
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax.
|
|
||||||
|
|
||||||
E: Unknown fix colvars parameter
|
|
||||||
|
|
||||||
Self-explanatory. Check your input script syntax.
|
|
||||||
|
|
||||||
E: Cannot use fix colvars without atom IDs
|
|
||||||
|
|
||||||
Atom IDs are not defined, but fix colvars needs them to identify an atom.
|
|
||||||
|
|
||||||
E: Fix colvars requires an atom map, see atom_modify
|
|
||||||
|
|
||||||
Use the atom_modify command to create an atom map.
|
|
||||||
|
|
||||||
W: Using fix colvars with minimization
|
|
||||||
|
|
||||||
Some of the functionality supported with the colvars library is not
|
|
||||||
meaningful with minimization calculations.
|
|
||||||
|
|
||||||
E: Could not find tstat fix ID
|
|
||||||
|
|
||||||
Self-explanatory. The thermostat fix ID provided with the tstat keyword
|
|
||||||
is not defined (yet or anymore). Check your input file.
|
|
||||||
|
|
||||||
E: Run aborted on request from colvars module
|
|
||||||
|
|
||||||
Some error condition happened inside the colvars library that prohibits
|
|
||||||
it from continuing. Please examine the output for additional information.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -40,21 +40,3 @@ class Group2Ndx : public Command {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Must have atom IDs for group2ndx command
|
|
||||||
|
|
||||||
There are no atom IDs defined in the system, but they are required
|
|
||||||
to identify atoms in a gromacs style index file.
|
|
||||||
|
|
||||||
E: Cannot open index file for writing
|
|
||||||
|
|
||||||
Self-explanatory. Check your filename, permissions, and disk space or quota.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -41,21 +41,3 @@ class Ndx2Group : public Command {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Must have atom IDs for ndx2group command
|
|
||||||
|
|
||||||
There are no atom IDs defined in the system, but they are required
|
|
||||||
to identify atoms in a gromacs style index file.
|
|
||||||
|
|
||||||
E: Cannot open index file for reading
|
|
||||||
|
|
||||||
Self-explanatory. Check your filename, permissions, and disk space or quota.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -45,14 +45,3 @@ class DumpAtomGZ : public DumpAtom {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
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
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -52,14 +52,3 @@ class DumpAtomZstd : public DumpAtom {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Dump atom/zstd only writes compressed files
|
|
||||||
|
|
||||||
The dump atom/zstd output file name must have a .zst suffix.
|
|
||||||
|
|
||||||
E: Cannot open dump file
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -45,14 +45,3 @@ class DumpCFGGZ : public DumpCFG {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
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
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -51,14 +51,3 @@ class DumpCFGZstd : public DumpCFG {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Dump cfg/zstd only writes compressed files
|
|
||||||
|
|
||||||
The dump cfg/zstd output file name must have a .zstd suffix.
|
|
||||||
|
|
||||||
E: Cannot open dump file
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -45,14 +45,3 @@ class DumpCustomGZ : public DumpCustom {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
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
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -52,14 +52,3 @@ class DumpCustomZstd : public DumpCustom {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Dump custom/zstd only writes compressed files
|
|
||||||
|
|
||||||
The dump custom/zstd output file name must have a .zst suffix.
|
|
||||||
|
|
||||||
E: Cannot open dump file
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -45,14 +45,3 @@ class DumpLocalGZ : public DumpLocal {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Dump local/gz only writes compressed files
|
|
||||||
|
|
||||||
The dump local/gz output file name must have a .gz suffix.
|
|
||||||
|
|
||||||
E: Cannot open dump file
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -52,14 +52,3 @@ class DumpLocalZstd : public DumpLocal {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Dump local/zstd only writes compressed files
|
|
||||||
|
|
||||||
The dump local/zstd output file name must have a .zst suffix.
|
|
||||||
|
|
||||||
E: Cannot open dump file
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -45,14 +45,3 @@ class DumpXYZGZ : public DumpXYZ {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
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
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -52,14 +52,3 @@ class DumpXYZZstd : public DumpXYZ {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Dump xyz/zstd only writes compressed files
|
|
||||||
|
|
||||||
The dump xyz/zstd output file name must have a .zst suffix.
|
|
||||||
|
|
||||||
E: Cannot open dump file
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -65,45 +65,3 @@ class ComputeTempCS : public Compute {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Compute temp/cs used when bonds are not allowed
|
|
||||||
|
|
||||||
This compute only works on pairs of bonded particles.
|
|
||||||
|
|
||||||
E: Cannot find specified group ID for core particles
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Cannot find specified group ID for shell particles
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
|
||||||
E: Compute temp/cs requires ghost atoms store velocity
|
|
||||||
|
|
||||||
Use the comm_modify vel yes command to enable this.
|
|
||||||
|
|
||||||
E: Number of core atoms != number of shell atoms
|
|
||||||
|
|
||||||
There must be a one-to-one pairing of core and shell atoms.
|
|
||||||
|
|
||||||
E: Core/shell partner atom not found
|
|
||||||
|
|
||||||
Could not find one of the atoms in the bond pair.
|
|
||||||
|
|
||||||
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
|
|
||||||
|
|
||||||
This should not happen if you are calculating the temperature
|
|
||||||
on a valid set of atoms.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -35,25 +35,3 @@ class PairBornCoulDSFCS : public PairBornCoulDSF {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair style born/coul/dsf requires atom attribute q
|
|
||||||
|
|
||||||
The atom style defined does not have this attribute.
|
|
||||||
|
|
||||||
E: All pair coeffs are not set
|
|
||||||
|
|
||||||
All pair coefficients must be set in the data file or by the
|
|
||||||
pair_coeff command before running a simulation.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -35,29 +35,3 @@ class PairBornCoulLongCS : public PairBornCoulLong {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: All pair coeffs are not set
|
|
||||||
|
|
||||||
All pair coefficients must be set in the data file or by the
|
|
||||||
pair_coeff command before running a simulation.
|
|
||||||
|
|
||||||
E: Pair style born/coul/long requires atom attribute q
|
|
||||||
|
|
||||||
An atom style that defines this attribute must be used.
|
|
||||||
|
|
||||||
E: Pair style requires a KSpace style
|
|
||||||
|
|
||||||
No kspace style is defined.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -35,26 +35,3 @@ class PairBornCoulWolfCS : public PairBornCoulWolf {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: All pair coeffs are not set
|
|
||||||
|
|
||||||
All pair coefficients must be set in the data file or by the
|
|
||||||
pair_coeff command before running a simulation.
|
|
||||||
|
|
||||||
E: Pair style born/coul/wolf/cs requires atom attribute q
|
|
||||||
|
|
||||||
An atom style that defines this attribute must be used.
|
|
||||||
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -35,29 +35,3 @@ class PairBuckCoulLongCS : public PairBuckCoulLong {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: All pair coeffs are not set
|
|
||||||
|
|
||||||
All pair coefficients must be set in the data file or by the
|
|
||||||
pair_coeff command before running a simulation.
|
|
||||||
|
|
||||||
E: Pair style buck/coul/long requires atom attribute q
|
|
||||||
|
|
||||||
The atom style defined does not have these attributes.
|
|
||||||
|
|
||||||
E: Pair style requires a KSpace style
|
|
||||||
|
|
||||||
No kspace style is defined.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
@ -35,24 +35,3 @@ class PairCoulLongCS : public PairCoulLong {
|
|||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
/* ERROR/WARNING messages:
|
|
||||||
|
|
||||||
E: Illegal ... command
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script syntax and compare to the
|
|
||||||
documentation for the command. You can use -echo screen as a
|
|
||||||
command-line option when running LAMMPS to see the offending line.
|
|
||||||
|
|
||||||
E: Incorrect args for pair coefficients
|
|
||||||
|
|
||||||
Self-explanatory. Check the input script or data file.
|
|
||||||
|
|
||||||
E: Pair style lj/cut/coul/long requires atom attribute q
|
|
||||||
|
|
||||||
The atom style defined does not have this attribute.
|
|
||||||
|
|
||||||
E: Pair style requires a KSpace style
|
|
||||||
|
|
||||||
No kspace style is defined.
|
|
||||||
|
|
||||||
*/
|
|
||||||
|
|||||||
Some files were not shown because too many files have changed in this diff Show More
Reference in New Issue
Block a user