forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2938 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
c318361d2f
commit
22954a4c0f
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@ -556,13 +556,34 @@ command.
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<DD>The create_box command cannot be used after a read_data, read_restart,
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or create_box command.
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<DT><I>Cannot delete group all</I>
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<DD>Self-explanatory.
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<DT><I>Cannot delete group currently used by a compute</I>
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<DD>Self-explanatory.
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<DT><I>Cannot delete group currently used by a dump</I>
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<DD>Self-explanatory.
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<DT><I>Cannot delete group currently used by a fix</I>
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<DD>Self-explanatory.
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<DT><I>Cannot delete group currently used by atom_modify first</I>
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<DD>Self-explanatory.
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<DT><I>Cannot displace_box on a non-periodic boundary</I>
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<DD>Self-explanatory.
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<DT><I>Cannot dump scaled coords with triclinic box</I>
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<DT><I>Cannot evaporate atoms in atom_modify first group</I>
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<DD>Use dump custom with x,y,z instead.
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<DD>This is a restriction due to the way atoms are organized in
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a list to enable the atom_modify first command.
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<DT><I>Cannot find delete_bonds group ID</I>
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@ -651,11 +672,21 @@ correct.
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<DD>The output file for the fix rdf command cannot be opened. Check that
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the path and name are correct.
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<DT><I>Cannot open fix reax/bonds file %s</I>
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<DD>The output file for the fix reax/bonds command cannot be opened.
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Check that the path and name are correct.
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<DT><I>Cannot open fix tmd file %s</I>
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<DD>The output file for the fix tmd command cannot be opened. Check that
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the path and name are correct.
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<DT><I>Cannot open fix ttm file %s</I>
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<DD>The output file for the fix ttm command cannot be opened. Check that
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the path and name are correct.
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<DT><I>Cannot open gzipped file</I>
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<DD>LAMMPS is attempting to open a gzipped version of the specified file
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@ -834,6 +865,10 @@ an atom map to be created.
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<DD>Self-explanatory.
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<DT><I>Cannot use fix box/relax on a non-periodic dimension</I>
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<DD>Only periodic dimensions can be controlled with this fix.
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<DT><I>Cannot use fix deform trate on a box with zero tilt</I>
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<DD>The trate style alters the current strain.
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@ -850,10 +885,6 @@ an atom map to be created.
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<DD>This feature is not yet supported.
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<DT><I>Cannot use fix nph without per-type mass defined</I>
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<DD>The defined atom style uses per-atom mass, not per-type mass.
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<DT><I>Cannot use fix npt and fix deform on same dimension</I>
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<DD>These commands both change the box size/shape, so you cannot use both
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@ -867,14 +898,6 @@ together.
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<DD>This feature is not yet supported.
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<DT><I>Cannot use fix npt without per-type mass defined</I>
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<DD>The defined atom style uses per-atom mass, not per-type mass.
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<DT><I>Cannot use fix nvt without per-type mass defined</I>
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<DD>The defined atom style uses per-atom mass, not per-type mass.
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<DT><I>Cannot use fix pour with triclinic box</I>
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<DD>This feature is not yet supported.
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@ -891,22 +914,21 @@ together.
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<DD>Self-explanatory.
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<DT><I>Cannot use fix press/berendsen without per-type mass defined</I>
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<DT><I>Cannot use fix reax/bonds without pair_style reax</I>
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<DD>Self-explanatory.
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<DT><I>Cannot use fix rigid without per-type mass defined</I>
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<DD>This is a current restriction on the kinds of atoms fix rigid can
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be used with.
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<DD>Self-explantory.
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<DT><I>Cannot use fix shake with non-molecular system</I>
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<DD>Your choice of atom style does not have bonds.
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<DT><I>Cannot use fix temp/berendsen without per-type mass defined</I>
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<DT><I>Cannot use fix ttm with 2d simulation</I>
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<DD>Self-explanatory.
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<DD>This is a current restriction of this fix due to the grid it creates.
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<DT><I>Cannot use fix ttm with triclinic box</I>
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<DD>This is a current restriction of this fix due to the grid it creates.
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<DT><I>Cannot use kspace solver on system with no charge</I>
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@ -918,6 +940,10 @@ be used with.
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the simulation box is very small in some dimension, compared to the
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neighbor cutoff. Use the "nsq" style instead of "bin" style.
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<DT><I>Cannot use nonperiodic boundares with fix ttm</I>
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<DD>This fix requires a fully periodic simulation box.
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<DT><I>Cannot use nonperiodic boundaries with Ewald</I>
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<DD>For kspace style ewald, all 3 dimensions must have periodic boundaries
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@ -974,6 +1000,16 @@ triclinic.
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<DD>Self-explanatory.
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<DT><I>Compute erotate/asphere requires extended particles</I>
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<DD>This quantity can only be calculated for particles with a shape
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setting.
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<DT><I>Compute temp/asphere requires extended particles</I>
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<DD>This quantity can only be calculated for particles with a shape
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setting.
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<DT><I>Compute ID for compute reduce does not exist</I>
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<DD>Self-explanatory.
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@ -999,35 +1035,44 @@ triclinic.
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<DD>This is because the computation of the centro-symmetry values
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uses a pairwise neighbor list.
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<DT><I>Compute cna/atom cutoff is longer than pairwise cutoff</I>
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<DD>Self-explantory.
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<DT><I>Compute cna/atom requires a pair style be defined</I>
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<DD>Self-explantory.
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<DT><I>Compute coord/atom cutoff is longer than pairwise cutoff</I>
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<DD>Cannot compute coordination at distances longer than the pair cutoff,
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since those atoms are not in the neighbor list.
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<DT><I>Compute coord/atom requires a pair style be defined</I>
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<DD>Self-explantory.
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<DT><I>Compute damage/atom requires peridynamic potential</I>
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<DD>Damage is a Peridynamic-specific metric. It requires you
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to be running a Peridynamics simulation.
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<DT><I>Compute erotate/asphere requires atom attribute shape</I>
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<DT><I>Compute erotate/asphere cannot be used with atom attributes diameter or rmass</I>
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<DD>An atom style that specifies atom shape is needed.
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<DD>These attributes override the shape and mass settings, so cannot be
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used.
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<DT><I>Compute erotate/asphere requires atom attributes angmom, quat</I>
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<DT><I>Compute erotate/asphere requires atom attributes angmom, quat, shape</I>
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<DD>An atom style is needed that has these attributes.
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<DD>An atom style that defines these attributes must be used.
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<DT><I>Compute erotate/sphere requires atom attribute omega</I>
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<DD>An atom style is needed that has this attribute.
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<DD>An atom style that defines this attribute must be used.
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<DT><I>Compute erotate/sphere requires atom attribute shape</I>
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<DT><I>Compute erotate/sphere requires atom attribute radius or shape</I>
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<DD>An atom style that specifies atom shape is needed.
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<DT><I>Compute erotate/sphere requires atom attributes radius, rmass</I>
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<DD>An atom style is needed that has these attributes.
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<DD>An atom style that defines these attributes must be used.
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<DT><I>Compute erotate/sphere requires spherical particle shapes</I>
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@ -1037,11 +1082,6 @@ to be running a Peridynamics simulation.
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<DD>Self-explanatory.
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<DT><I>Compute group/group requires a pair style be defined</I>
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<DD>This is because the computation of the group-group interactions uses a
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pairwise neighbor list.
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<DT><I>Compute pe must use group all</I>
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<DD>Energies computed by potentials (pair, bond, etc) are computed on all
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@ -1081,17 +1121,42 @@ temperature.
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<DD>Self-explanatory.
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<DT><I>Compute reduce region ID does not exist</I>
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<DD>Self-explanatory.
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<DT><I>Compute reduce variable is not atom-style variable</I>
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<DD>Self-explanatory.
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<DT><I>Compute temp/asphere requires atom attributes quat, angmom</I>
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<DT><I>Compute temp/asphere cannot be used with atom attributes diameter or rmass</I>
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<DD>The atom style defined does not have these attributes.
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<DD>These attributes override the shape and mass settings, so cannot be
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used.
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<DT><I>Compute temp/asphere requires atom attributes angmom, quat, shape</I>
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<DD>An atom style that defines these attributes must be used.
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<DT><I>Compute temp/partial cannot use vz for 2d systems</I>
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<DD>Self-explanatory.
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<DT><I>Compute temp/profile cannot use vz for 2d systems</I>
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<DD>Self-explanatory.
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<DT><I>Compute temp/profile cannot bin z for 2d systems</I>
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<DD>Self-explanatory.
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<DT><I>Compute temp/sphere requires atom attribute omega</I>
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<DD>An atom style is needed that has this attributes.
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<DD>An atom style that defines this attribute must be used.
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<DT><I>Compute temp/sphere requires atom attribute radius or shape</I>
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<DD>An atom style that defines these attributes must be used.
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<DT><I>Compute temp/sphere requires spherical particle shapes</I>
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@ -1165,6 +1230,10 @@ temperature is 0.0.
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<DD>Self-explanatory.
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<DT><I>Could not find group delete ID</I>
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<DD>Self-explanatory.
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<DT><I>Could not find delete_atoms group ID</I>
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<DD>Group ID used in the delete_atoms command does not exist.
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@ -1175,11 +1244,11 @@ temperature is 0.0.
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<DT><I>Could not find displace_atoms group ID</I>
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<DD>A group ID used in the displace_atoms command does not exist.
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<DD>Group ID used in the displace_atoms command does not exist.
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<DT><I>Could not find displace_box group ID</I>
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<DD>Self-explanatory.
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<DD>Group ID used in the displace_box command does not exist.
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<DT><I>Could not find dump custom compute ID</I>
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@ -1218,15 +1287,11 @@ does not exist.
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<DD>A group ID used in the fix rigid command does not exist.
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<DT><I>Could not find fix spring couple group ID</I>
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<DD>Self-explanatory.
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<DT><I>Could not find fix_modify ID</I>
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<DD>A fix ID used in the fix_modify command does not exist.
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<DT><I>Could not find fix_modify press ID</I>
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<DT><I>Could not find fix_modify pressure ID</I>
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<DD>The compute ID for computing pressure does not exist.
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@ -1283,6 +1348,11 @@ not exist.
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<DD>The compute ID needed by the velocity command to compute temperature
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does not exist.
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<DT><I>Could not set finite-size particle attribute in fix rigid</I>
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<DD>The particle has a finite size but its attributes could not be
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determined.
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<DT><I>Coulomb cutoffs of pair hybrid sub-styles do not match</I>
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<DD>If using a Kspace solver, all Coulomb cutoffs of long pair styles must
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@ -1550,6 +1620,10 @@ dump output.
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<DD>The chosen atom style does not define the per-atom vector being
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dumped.
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<DT><I>Electronic temperature dropped below zero</I>
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<DD>Something has gone wrong with the fix ttm electron temperature model.
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<DT><I>Empty brackets in variable formula</I>
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<DD>A value inside the brackets is required for this formula element.
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@ -1755,6 +1829,10 @@ is a triclinic (non-orthogonal) box.
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<DD>Self-explanatory
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<DT><I>Fix evaporate region ID does not exist</I>
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<DD>Self-explanatory
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<DT><I>Fix for fix ave/atom not computed at compatible time</I>
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<DD>Fixes generate their values on specific timesteps. Fix ave/atom is
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@ -1808,41 +1886,50 @@ requesting the values on a non-allowed timestep.
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<DD>The time window for temperature or pressure relaxation must be > 0
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<DT><I>Fix npt/asphere cannot be used with atom attributes diameter or rmass</I>
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<DD>An atom style that defines these attributes must be used.
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<DT><I>Fix npt/asphere requires atom attributes quat, angmom, torque, shape</I>
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<DD>An atom style that specifies these quantities is needed.
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<DT><I>Fix npt/sphere requires atom attribute shape</I>
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<DT><I>Fix npt/sphere requires atom attribute radius or shape</I>
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<DD>An atom style that specifies atom shape is needed.
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<DD>An atom style that defines these attributes must be used.
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<DT><I>Fix npt/sphere requires atom attributes omega, torque</I>
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<DD>An atom style that specifies these quantities is needed.
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<DT><I>Fix npt/sphere requires spherical particle shapes</I>
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<DT><I>Fix nve/asphere cannot be used with atom attributes diameter or rmass</I>
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<DD>Self-explanatory.
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<DD>These attributes override the shape and mass settings, so cannot be
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used.
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<DT><I>Fix nve/asphere requires atom attributes quat, angmom, torque, shape</I>
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<DT><I>Fix nve/asphere requires atom attributes angmom, quat, torque, shape</I>
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<DD>An atom style that specifies these quantities is needed.
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<DT><I>Fix nve/asphere requires extended particles</I>
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<DD>This fix can only be used for particles with a shape setting.
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<DT><I>Fix nve/sphere requires atom attribute mu</I>
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<DD>An atom style with this attribute is needed.
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<DT><I>Fix nve/sphere requires atom attribute shape</I>
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<DT><I>Fix nve/sphere requires atom attribute radius or shape</I>
|
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|
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<DD>An atom style with this attribute is needed.
|
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<DD>An atom style that specifies these quantities is needed.
|
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|
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<DT><I>Fix nve/sphere requires atom attributes omega, torque</I>
|
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|
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<DD>An atom style with these attributes is needed.
|
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<DT><I>Fix nve/sphere requires atom attributes radius, rmass</I>
|
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<DT><I>Fix nve/sphere requires extended particles</I>
|
||||
|
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<DD>An atom style with these attributes is needed.
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<DD>This fix can only be used for particles of a finite size.
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<DT><I>Fix nve/sphere requires spherical particle shapes</I>
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@ -1852,18 +1939,31 @@ requesting the values on a non-allowed timestep.
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<DD>The time window for temperature relaxation must be > 0
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<DT><I>Fix nvt/asphere cannot be used with atom attributes diameter or rmass</I>
|
||||
|
||||
<DD>These attributes override the shape and mass settings, so cannot be
|
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used.
|
||||
|
||||
<DT><I>Fix nvt/asphere requires atom attributes quat, angmom, torque, shape</I>
|
||||
|
||||
<DD>An atom style that specifies these quantities is needed.
|
||||
|
||||
<DT><I>Fix nvt/sphere requires atom attribute shape</I>
|
||||
<DT><I>Fix nvt/asphere requires extended particles</I>
|
||||
|
||||
<DD>An atom style with this attribute is needed.
|
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<DD>This fix can only be used for particles of a finite size.
|
||||
|
||||
<DT><I>Fix nvt/sphere requires atom attribute radius or shape</I>
|
||||
|
||||
<DD>An atom style with these attributes is needed.
|
||||
|
||||
<DT><I>Fix nvt/sphere requires atom attributes omega, torque</I>
|
||||
|
||||
<DD>An atom style with these attributes is needed.
|
||||
|
||||
<DT><I>Fix nvt/sphere requires extended particles</I>
|
||||
|
||||
<DD>This fix can only be used for particles of a finite size.
|
||||
|
||||
<DT><I>Fix nvt/sphere requires spherical particle shapes</I>
|
||||
|
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<DD>Self-explanatory.
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||||
|
|
@ -1914,6 +2014,10 @@ are not within the required tolerances.
|
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<DD>Cannot use fix shake while doing an energy minimization since
|
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it turns off bonds that should contribute to the energy.
|
||||
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||||
<DT><I>Fix spring couple group ID does not exist</I>
|
||||
|
||||
<DD>Self-explanatory.
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||||
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||||
<DT><I>Fix temp/berendsen period must be > 0.0</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
|
@ -1928,6 +2032,42 @@ it turns off bonds that should contribute to the energy.
|
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integration fixes (nve, nvt, npt). See the fix tmd documentation for
|
||||
details.
|
||||
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<DT><I>Fix ttm electron temperatures must be > 0.0</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Fix ttm electronic_density must be > 0.0</I>
|
||||
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||||
<DD>Self-explanatory.
|
||||
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||||
<DT><I>Fix ttm electronic_specific_heat must be > 0.0</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Fix ttm electronic_thermal_conductivity must be >= 0.0</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Fix ttm gamma_p must be > 0.0</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Fix ttm gamma_s must be >= 0.0</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Fix ttm number of nodes must be > 0</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Invalid random number seed in fix ttm command</I>
|
||||
|
||||
<DD>Random number seed must be > 0.
|
||||
|
||||
<DT><I>Fix ttm v_0 must be >= 0.0</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Fix used in compute reduce not computed at compatible time</I>
|
||||
|
||||
<DD>Fixes generate their values on specific timesteps. Compute sum is
|
||||
|
|
@ -1954,7 +2094,7 @@ this fix.
|
|||
|
||||
<DD>The atom style defined does not have these attributes.
|
||||
|
||||
<DT><I>Fix_modify press ID does not compute pressure</I>
|
||||
<DT><I>Fix_modify pressure ID does not compute pressure</I>
|
||||
|
||||
<DD>The compute ID assigned to the fix must compute pressure.
|
||||
|
||||
|
|
@ -2175,6 +2315,10 @@ map command will force an atom map to be created.
|
|||
<DD>The final tilt value must be between -1/2 and 1/2 of the perpendicular
|
||||
box length.
|
||||
|
||||
<DT><I>Initial temperatures not all set in fix ttm</I>
|
||||
|
||||
<DD>Self-explantory.
|
||||
|
||||
<DT><I>Input line too long after variable substitution</I>
|
||||
|
||||
<DD>This is a hard (very large) limit defined in the input.cpp file.
|
||||
|
|
@ -2590,10 +2734,18 @@ kspace, etc.
|
|||
|
||||
<DD>Length of read-in pair table is invalid
|
||||
|
||||
<DT><I>Invalid radius in Atoms section of data file</I>
|
||||
|
||||
<DD>Radius must be >= 0.0.
|
||||
|
||||
<DT><I>Invalid random number seed in set command</I>
|
||||
|
||||
<DD>Random number seed must be > 0.
|
||||
|
||||
<DT><I>Invalid region in group function in variable formula</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Invalid region style</I>
|
||||
|
||||
<DD>The choice of region style is unknown.
|
||||
|
|
@ -3155,14 +3307,18 @@ rRESPA cutoffs.
|
|||
|
||||
<DD>An atom style that stores this, like atom_style dpd, must be used.
|
||||
|
||||
<DT><I>Pair gayberne cannot be used with atom attribute diameter</I>
|
||||
|
||||
<DD>Finite-size particles must be defined with the shape command.
|
||||
|
||||
<DT><I>Pair gayberne epsilon a,b,c coeffs are not all set</I>
|
||||
|
||||
<DD>Each atom type involved in pair_style gayberne must
|
||||
have these 3 coefficients set at least once.
|
||||
|
||||
<DT><I>Pair gayberne requires atom attributes quat, torque</I>
|
||||
<DT><I>Pair gayberne requires atom attributes quat, torque, shape</I>
|
||||
|
||||
<DD>The atom style defined does not have these attributes.
|
||||
<DD>An atom style that defines these attributes must be used.
|
||||
|
||||
<DT><I>Pair granular requires atom attributes radius, omega, torque</I>
|
||||
|
||||
|
|
@ -3192,15 +3348,25 @@ rRESPA cutoffs.
|
|||
|
||||
<DD>The specified cutoffs for the pair style are inconsistent.
|
||||
|
||||
<DT><I>Pair lubricate requires atom attributes torque, shape</I>
|
||||
<DT><I>Pair lubricate cannot be used with atom attributes diameter or rmass</I>
|
||||
|
||||
<DD>Use a different atom style.
|
||||
<DD>These attributes override the shape and mass settings, so cannot be
|
||||
used.
|
||||
|
||||
<DT><I>Pair lubricate requires atom attributes quat, torque, shape</I>
|
||||
|
||||
<DD>An atom style that defines these attributes must be used.
|
||||
|
||||
<DT><I>Pair lubricate requires extended particles</I>
|
||||
|
||||
<DD>This pair style can only be used for particles with a shape
|
||||
setting.
|
||||
|
||||
<DT><I>Pair lubricate requires mono-disperse particles</I>
|
||||
|
||||
<DD>This is a current restriction of this pair style.
|
||||
|
||||
<DT><I>Pair lubricate requires spherical particles</I>
|
||||
<DT><I>Pair lubricate requires spherical, mono-disperse particles</I>
|
||||
|
||||
<DD>This is a current restriction of this pair style.
|
||||
|
||||
|
|
@ -3217,6 +3383,10 @@ rRESPA cutoffs.
|
|||
<DD>Even for atomic systems, an atom map is required to find Peridynamic
|
||||
bonds. Use the atom_modify command to define one.
|
||||
|
||||
<DT><I>Pair resquared cannot be used with atom attribute diameter</I>
|
||||
|
||||
<DD>This attribute overrides the shape settings, so cannot be used.
|
||||
|
||||
<DT><I>Pair resquared epsilon a,b,c coeffs are not all set</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
|
@ -3225,13 +3395,13 @@ bonds. Use the atom_modify command to define one.
|
|||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Pair resquared requires atom attributes quat, torque</I>
|
||||
<DT><I>Pair resquared requires atom attributes quat, torque, shape</I>
|
||||
|
||||
<DD>Use a different atom style.
|
||||
<DD>An atom style that defines these attributes must be used.
|
||||
|
||||
<DT><I>Pair style AIREBO requires atom IDs</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
<DD>This is a requirement to use the AIREBO potential.
|
||||
|
||||
<DT><I>Pair style AIREBO requires newton pair on</I>
|
||||
|
||||
|
|
@ -3260,6 +3430,10 @@ potential.
|
|||
<DD>See the newton command. This is a restriction to use the Tersoff
|
||||
potential.
|
||||
|
||||
<DT><I>Pair style born/coul/long requires atom attribute q</I>
|
||||
|
||||
<DD>An atom style that defines this attribute must be used.
|
||||
|
||||
<DT><I>Pair style buck/coul/cut requires atom attribute q</I>
|
||||
|
||||
<DD>The atom style defined does not have this attribute.
|
||||
|
|
@ -3277,10 +3451,20 @@ potential.
|
|||
<DD>The pair style does not have a single() function, so it can
|
||||
not be invoked by bond_style quartic.
|
||||
|
||||
<DT><I>Pair style does not support compute group/group</I>
|
||||
|
||||
<P>The pair_style does not have a single() function, so it cannot be
|
||||
invokded by the compute group/group command.
|
||||
</P>
|
||||
<DT><I>Pair style does not support fix bond/swap</I>
|
||||
|
||||
<P>The pair_style does not have a single() function, so it cannot be
|
||||
invokded by the fix bond/swap command.
|
||||
</P>
|
||||
<DT><I>Pair style does not support pair_write</I>
|
||||
|
||||
<DD>The pair style does not have a single() function, so it can
|
||||
not be invoked by the pair_write command.
|
||||
<DD>The pair style does not have a single() function, so it cannot be
|
||||
invoked by the pair_write command.
|
||||
|
||||
<DT><I>Pair style does not support rRESPA inner/middle/outer</I>
|
||||
|
||||
|
|
@ -3357,6 +3541,14 @@ molecule adds forces to atoms owned by other processors.
|
|||
<DD>This is because atom style peri stores quantities needed by
|
||||
the peridynamic potential.
|
||||
|
||||
<DT><I>Pair style reax requires atom IDs</I>
|
||||
|
||||
<DD>This is a requirement to use the ReaxFF potential.
|
||||
|
||||
<DT><I>Pair style reax requires newton pair on</I>
|
||||
|
||||
<DD>This is a requirement to use the ReaxFF potential.
|
||||
|
||||
<DT><I>Pair table cutoffs must all be equal to use with KSpace</I>
|
||||
|
||||
<DD>When using pair style table with a long-range KSpace solver, the
|
||||
|
|
@ -3422,26 +3614,35 @@ needed entry.
|
|||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Press ID for fix nph does not exist</I>
|
||||
<DT><I>Pressure ID for fix box/relax does not exist</I>
|
||||
|
||||
<DD>The compute ID needed to compute pressure for the fix does not
|
||||
exist.
|
||||
|
||||
<DT><I>Press ID for fix npt does not exist</I>
|
||||
<DT><I>Pressure ID for fix nph does not exist</I>
|
||||
|
||||
<DD>The compute ID needed to compute pressure for the fix does not
|
||||
exist.
|
||||
|
||||
<DT><I>Press ID for fix press/berendsen does not exist</I>
|
||||
<DT><I>Pressure ID for fix npt does not exist</I>
|
||||
|
||||
<DD>The compute ID needed to compute pressure for the fix does not
|
||||
exist.
|
||||
|
||||
<DT><I>Press ID for thermo does not exist</I>
|
||||
<DT><I>Pressure ID for fix press/berendsen does not exist</I>
|
||||
|
||||
<DD>The compute ID needed to compute pressure for the fix does not
|
||||
exist.
|
||||
|
||||
<DT><I>Pressure ID for thermo does not exist</I>
|
||||
|
||||
<DD>The compute ID needed to compute pressure for thermodynamics does not
|
||||
exist.
|
||||
|
||||
<DT><I>Pressure ID for fix modify does not exist</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Proc grid in z != 1 for 2d simulation</I>
|
||||
|
||||
<DD>There cannot be more than 1 processor in the z dimension of a 2d
|
||||
|
|
@ -3648,30 +3849,35 @@ fix group.
|
|||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Temp ID for fix nph does not exist</I>
|
||||
<DT><I>Temperature ID for fix box/relax does not exist</I>
|
||||
|
||||
<DD>The compute ID needed to compute temperature for the fix does not
|
||||
exist.
|
||||
|
||||
<DT><I>Temp ID for fix npt does not exist</I>
|
||||
<DT><I>Temperature ID for fix nph does not exist</I>
|
||||
|
||||
<DD>The compute ID needed to compute temperature for the fix does not
|
||||
exist.
|
||||
|
||||
<DT><I>Temp ID for fix nvt does not exist</I>
|
||||
<DT><I>Temperature ID for fix npt does not exist</I>
|
||||
|
||||
<DD>The compute ID needed to compute temperature for the fix does not
|
||||
exist.
|
||||
|
||||
<DT><I>Temp ID for fix press/berendsen does not exist</I>
|
||||
<DT><I>Temperature ID for fix nvt does not exist</I>
|
||||
|
||||
<DD>The compute ID needed to compute temperature for the fix does not
|
||||
exist.
|
||||
|
||||
<DT><I>Temperature ID for fix press/berendsen does not exist</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Temp ID for fix temp/berendsen does not exist</I>
|
||||
<DT><I>Temperature ID for fix temp/berendsen does not exist</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Temp ID for fix temp/rescale does not exist</I>
|
||||
<DT><I>Temperature ID for fix temp/rescale does not exist</I>
|
||||
|
||||
<DD>The compute ID needed to compute temperature for the fix does not
|
||||
exist.
|
||||
|
|
@ -4120,6 +4326,10 @@ on the same group of atoms that velocities are being set for.
|
|||
|
||||
<DD>It is not efficient to use compute centro/atom more than once.
|
||||
|
||||
<DT><I>More than one compute cna/atom defined</I>
|
||||
|
||||
<DD>It is not efficient to use compute cna/atom more than once.
|
||||
|
||||
<DT><I>More than one compute coord/atom</I>
|
||||
|
||||
<DD>It is not efficient to use compute coord/atom more than once.
|
||||
|
|
@ -4144,6 +4354,14 @@ on the same group of atoms that velocities are being set for.
|
|||
|
||||
<DD>It is not efficient to use fix rigid more than once.
|
||||
|
||||
<DT><I>New thermo_style command, previous thermo_modify settings will be lost</I>
|
||||
|
||||
<DD>If a thermo_style command is used after a thermo_modify command, the
|
||||
settings changed by the thermo_modify command will be reset to their
|
||||
default values. This is because the thermo_modify commmand acts on
|
||||
the currently defined thermo style, and a thermo_style command creates
|
||||
a new style.
|
||||
|
||||
<DT><I>No fixes defined, atoms won't move</I>
|
||||
|
||||
<DD>If you are not using a fix like nve, nvt, npt then atom velocities and
|
||||
|
|
@ -4155,6 +4373,11 @@ coordinates will not be updated during timestepping.
|
|||
will integrate the body motion, but it would be more efficient to use
|
||||
fix rigid.
|
||||
|
||||
<DT><I>Not using real units with pair reax</I>
|
||||
|
||||
<DD>This is most likely an error, unless you have created your own ReaxFF
|
||||
parameter file in a different set of units.
|
||||
|
||||
<DT><I>One or more atoms are time integrated more than once</I>
|
||||
|
||||
<DD>This is probably an error since you typically do not want to
|
||||
|
|
@ -4208,6 +4431,19 @@ different 3d grid of processors. Due to round-off, the trajectories
|
|||
of your restarted simulation may diverge a little more quickly than if
|
||||
you ran on the same # of processors.
|
||||
|
||||
<DT><I>Restart file used different boundary settings, using restart file values</I>
|
||||
|
||||
<P>Your input script cannot change these settings in the restart file.
|
||||
</P>
|
||||
<DT><I>Restart file used different newton bond setting, using restart file value</I>
|
||||
|
||||
<P>Your input script cannot change this setting in the restart file.
|
||||
</P>
|
||||
<DT><I>Restart file used different newton pair setting, using input script value</I>
|
||||
|
||||
<P>Your input script can change this setting in the restart file, but you
|
||||
may not wish to do so.
|
||||
</P>
|
||||
<DT><I>Restart file version does not match LAMMPS version</I>
|
||||
|
||||
<DD>The version of LAMMPS that wrote the restart file does not match the
|
||||
|
|
@ -4254,13 +4490,17 @@ pressure, the kinetic energy contribution from the temperature is
|
|||
assumed to also be for all atoms. Thus the pressure printed by thermo
|
||||
could be inaccurate.
|
||||
|
||||
<DT><I>Too many inner timesteps in fix ttm</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
|
||||
<DT><I>Use special bonds = 0,1,1 with bond style fene/expand</I>
|
||||
|
||||
<DD>Most FENE models use this setting for the special_bonds command.
|
||||
<DD>Most FENE models need this setting for the special_bonds command.
|
||||
|
||||
<DT><I>Use special bonds = 0,1,1 with bond style fene</I>
|
||||
|
||||
<DD>Most FENE models use this setting for the special_bonds command.
|
||||
<DD>Most FENE models need this setting for the special_bonds command.
|
||||
|
||||
<DT><I>Using compute temp/deform with inconsistent fix deform remap option</I>
|
||||
|
||||
|
|
@ -4269,7 +4509,8 @@ by "remap v" or "remap none" as a fix deform option.
|
|||
|
||||
<DT><I>Using compute temp/deform with no fix deform defined</I>
|
||||
|
||||
<DD>Self-explanatory.
|
||||
<DD>This is probably an error, since it makes little sense to use
|
||||
compute temp/deform in this case.
|
||||
|
||||
<DT><I>Using pair tail corrections with nonperiodic system</I>
|
||||
|
||||
|
|
|
|||
|
|
@ -553,13 +553,34 @@ command. :dd
|
|||
The create_box command cannot be used after a read_data, read_restart,
|
||||
or create_box command. :dd
|
||||
|
||||
{Cannot delete group all} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Cannot delete group currently used by a compute} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Cannot delete group currently used by a dump} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Cannot delete group currently used by a fix} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Cannot delete group currently used by atom_modify first} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Cannot displace_box on a non-periodic boundary} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Cannot dump scaled coords with triclinic box} :dt
|
||||
{Cannot evaporate atoms in atom_modify first group} :dt
|
||||
|
||||
Use dump custom with x,y,z instead. :dd
|
||||
This is a restriction due to the way atoms are organized in
|
||||
a list to enable the atom_modify first command. :dd
|
||||
|
||||
{Cannot find delete_bonds group ID} :dt
|
||||
|
||||
|
|
@ -648,11 +669,21 @@ The output file generated by the fix print command cannot be opened :dd
|
|||
The output file for the fix rdf command cannot be opened. Check that
|
||||
the path and name are correct. :dd
|
||||
|
||||
{Cannot open fix reax/bonds file %s} :dt
|
||||
|
||||
The output file for the fix reax/bonds command cannot be opened.
|
||||
Check that the path and name are correct. :dd
|
||||
|
||||
{Cannot open fix tmd file %s} :dt
|
||||
|
||||
The output file for the fix tmd command cannot be opened. Check that
|
||||
the path and name are correct. :dd
|
||||
|
||||
{Cannot open fix ttm file %s} :dt
|
||||
|
||||
The output file for the fix ttm command cannot be opened. Check that
|
||||
the path and name are correct. :dd
|
||||
|
||||
{Cannot open gzipped file} :dt
|
||||
|
||||
LAMMPS is attempting to open a gzipped version of the specified file
|
||||
|
|
@ -831,6 +862,10 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Cannot use fix box/relax on a non-periodic dimension} :dt
|
||||
|
||||
Only periodic dimensions can be controlled with this fix. :dd
|
||||
|
||||
{Cannot use fix deform trate on a box with zero tilt} :dt
|
||||
|
||||
The trate style alters the current strain. :dd
|
||||
|
|
@ -847,10 +882,6 @@ Only periodic dimensions can be controlled with this fix. :dd
|
|||
|
||||
This feature is not yet supported. :dd
|
||||
|
||||
{Cannot use fix nph without per-type mass defined} :dt
|
||||
|
||||
The defined atom style uses per-atom mass, not per-type mass. :dd
|
||||
|
||||
{Cannot use fix npt and fix deform on same dimension} :dt
|
||||
|
||||
These commands both change the box size/shape, so you cannot use both
|
||||
|
|
@ -864,14 +895,6 @@ Only periodic dimensions can be controlled with this fix. :dd
|
|||
|
||||
This feature is not yet supported. :dd
|
||||
|
||||
{Cannot use fix npt without per-type mass defined} :dt
|
||||
|
||||
The defined atom style uses per-atom mass, not per-type mass. :dd
|
||||
|
||||
{Cannot use fix nvt without per-type mass defined} :dt
|
||||
|
||||
The defined atom style uses per-atom mass, not per-type mass. :dd
|
||||
|
||||
{Cannot use fix pour with triclinic box} :dt
|
||||
|
||||
This feature is not yet supported. :dd
|
||||
|
|
@ -888,22 +911,21 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Cannot use fix press/berendsen without per-type mass defined} :dt
|
||||
{Cannot use fix reax/bonds without pair_style reax} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Cannot use fix rigid without per-type mass defined} :dt
|
||||
|
||||
This is a current restriction on the kinds of atoms fix rigid can
|
||||
be used with. :dd
|
||||
Self-explantory. :dd
|
||||
|
||||
{Cannot use fix shake with non-molecular system} :dt
|
||||
|
||||
Your choice of atom style does not have bonds. :dd
|
||||
|
||||
{Cannot use fix temp/berendsen without per-type mass defined} :dt
|
||||
{Cannot use fix ttm with 2d simulation} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
This is a current restriction of this fix due to the grid it creates. :dd
|
||||
|
||||
{Cannot use fix ttm with triclinic box} :dt
|
||||
|
||||
This is a current restriction of this fix due to the grid it creates. :dd
|
||||
|
||||
{Cannot use kspace solver on system with no charge} :dt
|
||||
|
||||
|
|
@ -915,6 +937,10 @@ Too many neighbor bins will be created. This typically happens when
|
|||
the simulation box is very small in some dimension, compared to the
|
||||
neighbor cutoff. Use the "nsq" style instead of "bin" style. :dd
|
||||
|
||||
{Cannot use nonperiodic boundares with fix ttm} :dt
|
||||
|
||||
This fix requires a fully periodic simulation box. :dd
|
||||
|
||||
{Cannot use nonperiodic boundaries with Ewald} :dt
|
||||
|
||||
For kspace style ewald, all 3 dimensions must have periodic boundaries
|
||||
|
|
@ -971,6 +997,16 @@ triclinic. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute erotate/asphere requires extended particles} :dt
|
||||
|
||||
This quantity can only be calculated for particles with a shape
|
||||
setting. :dd
|
||||
|
||||
{Compute temp/asphere requires extended particles} :dt
|
||||
|
||||
This quantity can only be calculated for particles with a shape
|
||||
setting. :dd
|
||||
|
||||
{Compute ID for compute reduce does not exist} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
|
@ -996,35 +1032,44 @@ Self-explanatory. :dd
|
|||
This is because the computation of the centro-symmetry values
|
||||
uses a pairwise neighbor list. :dd
|
||||
|
||||
{Compute cna/atom cutoff is longer than pairwise cutoff} :dt
|
||||
|
||||
Self-explantory. :dd
|
||||
|
||||
{Compute cna/atom requires a pair style be defined} :dt
|
||||
|
||||
Self-explantory. :dd
|
||||
|
||||
{Compute coord/atom cutoff is longer than pairwise cutoff} :dt
|
||||
|
||||
Cannot compute coordination at distances longer than the pair cutoff,
|
||||
since those atoms are not in the neighbor list. :dd
|
||||
|
||||
{Compute coord/atom requires a pair style be defined} :dt
|
||||
|
||||
Self-explantory. :dd
|
||||
|
||||
{Compute damage/atom requires peridynamic potential} :dt
|
||||
|
||||
Damage is a Peridynamic-specific metric. It requires you
|
||||
to be running a Peridynamics simulation. :dd
|
||||
|
||||
{Compute erotate/asphere requires atom attribute shape} :dt
|
||||
{Compute erotate/asphere cannot be used with atom attributes diameter or rmass} :dt
|
||||
|
||||
An atom style that specifies atom shape is needed. :dd
|
||||
These attributes override the shape and mass settings, so cannot be
|
||||
used. :dd
|
||||
|
||||
{Compute erotate/asphere requires atom attributes angmom, quat} :dt
|
||||
{Compute erotate/asphere requires atom attributes angmom, quat, shape} :dt
|
||||
|
||||
An atom style is needed that has these attributes. :dd
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Compute erotate/sphere requires atom attribute omega} :dt
|
||||
|
||||
An atom style is needed that has this attribute. :dd
|
||||
An atom style that defines this attribute must be used. :dd
|
||||
|
||||
{Compute erotate/sphere requires atom attribute shape} :dt
|
||||
{Compute erotate/sphere requires atom attribute radius or shape} :dt
|
||||
|
||||
An atom style that specifies atom shape is needed. :dd
|
||||
|
||||
{Compute erotate/sphere requires atom attributes radius, rmass} :dt
|
||||
|
||||
An atom style is needed that has these attributes. :dd
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Compute erotate/sphere requires spherical particle shapes} :dt
|
||||
|
||||
|
|
@ -1034,11 +1079,6 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute group/group requires a pair style be defined} :dt
|
||||
|
||||
This is because the computation of the group-group interactions uses a
|
||||
pairwise neighbor list. :dd
|
||||
|
||||
{Compute pe must use group all} :dt
|
||||
|
||||
Energies computed by potentials (pair, bond, etc) are computed on all
|
||||
|
|
@ -1078,17 +1118,42 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute reduce region ID does not exist} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute reduce variable is not atom-style variable} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute temp/asphere requires atom attributes quat, angmom} :dt
|
||||
{Compute temp/asphere cannot be used with atom attributes diameter or rmass} :dt
|
||||
|
||||
The atom style defined does not have these attributes. :dd
|
||||
These attributes override the shape and mass settings, so cannot be
|
||||
used. :dd
|
||||
|
||||
{Compute temp/asphere requires atom attributes angmom, quat, shape} :dt
|
||||
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Compute temp/partial cannot use vz for 2d systems} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute temp/profile cannot use vz for 2d systems} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute temp/profile cannot bin z for 2d systems} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Compute temp/sphere requires atom attribute omega} :dt
|
||||
|
||||
An atom style is needed that has this attributes. :dd
|
||||
An atom style that defines this attribute must be used. :dd
|
||||
|
||||
{Compute temp/sphere requires atom attribute radius or shape} :dt
|
||||
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Compute temp/sphere requires spherical particle shapes} :dt
|
||||
|
||||
|
|
@ -1162,6 +1227,10 @@ The compute ID for calculating temperature does not exist. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Could not find group delete ID} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Could not find delete_atoms group ID} :dt
|
||||
|
||||
Group ID used in the delete_atoms command does not exist. :dd
|
||||
|
|
@ -1172,11 +1241,11 @@ Region ID used in the delete_atoms command does not exist. :dd
|
|||
|
||||
{Could not find displace_atoms group ID} :dt
|
||||
|
||||
A group ID used in the displace_atoms command does not exist. :dd
|
||||
Group ID used in the displace_atoms command does not exist. :dd
|
||||
|
||||
{Could not find displace_box group ID} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
Group ID used in the displace_box command does not exist. :dd
|
||||
|
||||
{Could not find dump custom compute ID} :dt
|
||||
|
||||
|
|
@ -1215,15 +1284,11 @@ A group ID used in the fix recenter command does not exist. :dd
|
|||
|
||||
A group ID used in the fix rigid command does not exist. :dd
|
||||
|
||||
{Could not find fix spring couple group ID} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Could not find fix_modify ID} :dt
|
||||
|
||||
A fix ID used in the fix_modify command does not exist. :dd
|
||||
|
||||
{Could not find fix_modify press ID} :dt
|
||||
{Could not find fix_modify pressure ID} :dt
|
||||
|
||||
The compute ID for computing pressure does not exist. :dd
|
||||
|
||||
|
|
@ -1280,6 +1345,11 @@ A group ID used in the velocity command does not exist. :dd
|
|||
The compute ID needed by the velocity command to compute temperature
|
||||
does not exist. :dd
|
||||
|
||||
{Could not set finite-size particle attribute in fix rigid} :dt
|
||||
|
||||
The particle has a finite size but its attributes could not be
|
||||
determined. :dd
|
||||
|
||||
{Coulomb cutoffs of pair hybrid sub-styles do not match} :dt
|
||||
|
||||
If using a Kspace solver, all Coulomb cutoffs of long pair styles must
|
||||
|
|
@ -1547,6 +1617,10 @@ Self-explanatory. :dd
|
|||
The chosen atom style does not define the per-atom vector being
|
||||
dumped. :dd
|
||||
|
||||
{Electronic temperature dropped below zero} :dt
|
||||
|
||||
Something has gone wrong with the fix ttm electron temperature model. :dd
|
||||
|
||||
{Empty brackets in variable formula} :dt
|
||||
|
||||
A value inside the brackets is required for this formula element. :dd
|
||||
|
|
@ -1752,6 +1826,10 @@ Cannot use volume style unless other dimensions are being controlled. :dd
|
|||
|
||||
Self-explanatory :dd
|
||||
|
||||
{Fix evaporate region ID does not exist} :dt
|
||||
|
||||
Self-explanatory :dd
|
||||
|
||||
{Fix for fix ave/atom not computed at compatible time} :dt
|
||||
|
||||
Fixes generate their values on specific timesteps. Fix ave/atom is
|
||||
|
|
@ -1805,41 +1883,50 @@ The time window for pressure relaxation must be > 0 :dd
|
|||
|
||||
The time window for temperature or pressure relaxation must be > 0 :dd
|
||||
|
||||
{Fix npt/asphere cannot be used with atom attributes diameter or rmass} :dt
|
||||
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Fix npt/asphere requires atom attributes quat, angmom, torque, shape} :dt
|
||||
|
||||
An atom style that specifies these quantities is needed. :dd
|
||||
|
||||
{Fix npt/sphere requires atom attribute shape} :dt
|
||||
{Fix npt/sphere requires atom attribute radius or shape} :dt
|
||||
|
||||
An atom style that specifies atom shape is needed. :dd
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Fix npt/sphere requires atom attributes omega, torque} :dt
|
||||
|
||||
An atom style that specifies these quantities is needed. :dd
|
||||
|
||||
{Fix npt/sphere requires spherical particle shapes} :dt
|
||||
{Fix nve/asphere cannot be used with atom attributes diameter or rmass} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
These attributes override the shape and mass settings, so cannot be
|
||||
used. :dd
|
||||
|
||||
{Fix nve/asphere requires atom attributes quat, angmom, torque, shape} :dt
|
||||
{Fix nve/asphere requires atom attributes angmom, quat, torque, shape} :dt
|
||||
|
||||
An atom style that specifies these quantities is needed. :dd
|
||||
|
||||
{Fix nve/asphere requires extended particles} :dt
|
||||
|
||||
This fix can only be used for particles with a shape setting. :dd
|
||||
|
||||
{Fix nve/sphere requires atom attribute mu} :dt
|
||||
|
||||
An atom style with this attribute is needed. :dd
|
||||
|
||||
{Fix nve/sphere requires atom attribute shape} :dt
|
||||
{Fix nve/sphere requires atom attribute radius or shape} :dt
|
||||
|
||||
An atom style with this attribute is needed. :dd
|
||||
An atom style that specifies these quantities is needed. :dd
|
||||
|
||||
{Fix nve/sphere requires atom attributes omega, torque} :dt
|
||||
|
||||
An atom style with these attributes is needed. :dd
|
||||
|
||||
{Fix nve/sphere requires atom attributes radius, rmass} :dt
|
||||
{Fix nve/sphere requires extended particles} :dt
|
||||
|
||||
An atom style with these attributes is needed. :dd
|
||||
This fix can only be used for particles of a finite size. :dd
|
||||
|
||||
{Fix nve/sphere requires spherical particle shapes} :dt
|
||||
|
||||
|
|
@ -1849,18 +1936,31 @@ Self-explanatory. :dd
|
|||
|
||||
The time window for temperature relaxation must be > 0 :dd
|
||||
|
||||
{Fix nvt/asphere cannot be used with atom attributes diameter or rmass} :dt
|
||||
|
||||
These attributes override the shape and mass settings, so cannot be
|
||||
used. :dd
|
||||
|
||||
{Fix nvt/asphere requires atom attributes quat, angmom, torque, shape} :dt
|
||||
|
||||
An atom style that specifies these quantities is needed. :dd
|
||||
|
||||
{Fix nvt/sphere requires atom attribute shape} :dt
|
||||
{Fix nvt/asphere requires extended particles} :dt
|
||||
|
||||
An atom style with this attribute is needed. :dd
|
||||
This fix can only be used for particles of a finite size. :dd
|
||||
|
||||
{Fix nvt/sphere requires atom attribute radius or shape} :dt
|
||||
|
||||
An atom style with these attributes is needed. :dd
|
||||
|
||||
{Fix nvt/sphere requires atom attributes omega, torque} :dt
|
||||
|
||||
An atom style with these attributes is needed. :dd
|
||||
|
||||
{Fix nvt/sphere requires extended particles} :dt
|
||||
|
||||
This fix can only be used for particles of a finite size. :dd
|
||||
|
||||
{Fix nvt/sphere requires spherical particle shapes} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
|
@ -1911,6 +2011,10 @@ are not within the required tolerances. :dd
|
|||
Cannot use fix shake while doing an energy minimization since
|
||||
it turns off bonds that should contribute to the energy. :dd
|
||||
|
||||
{Fix spring couple group ID does not exist} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Fix temp/berendsen period must be > 0.0} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
|
@ -1925,6 +2029,42 @@ Any fix tmd command must appear in the input script after all time
|
|||
integration fixes (nve, nvt, npt). See the fix tmd documentation for
|
||||
details. :dd
|
||||
|
||||
{Fix ttm electron temperatures must be > 0.0} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Fix ttm electronic_density must be > 0.0} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Fix ttm electronic_specific_heat must be > 0.0} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Fix ttm electronic_thermal_conductivity must be >= 0.0} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Fix ttm gamma_p must be > 0.0} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Fix ttm gamma_s must be >= 0.0} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Fix ttm number of nodes must be > 0} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Invalid random number seed in fix ttm command} :dt
|
||||
|
||||
Random number seed must be > 0. :dd
|
||||
|
||||
{Fix ttm v_0 must be >= 0.0} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Fix used in compute reduce not computed at compatible time} :dt
|
||||
|
||||
Fixes generate their values on specific timesteps. Compute sum is
|
||||
|
|
@ -1951,7 +2091,7 @@ this fix. :dd
|
|||
|
||||
The atom style defined does not have these attributes. :dd
|
||||
|
||||
{Fix_modify press ID does not compute pressure} :dt
|
||||
{Fix_modify pressure ID does not compute pressure} :dt
|
||||
|
||||
The compute ID assigned to the fix must compute pressure. :dd
|
||||
|
||||
|
|
@ -2172,6 +2312,10 @@ map command will force an atom map to be created. :dd
|
|||
The final tilt value must be between -1/2 and 1/2 of the perpendicular
|
||||
box length. :dd
|
||||
|
||||
{Initial temperatures not all set in fix ttm} :dt
|
||||
|
||||
Self-explantory. :dd
|
||||
|
||||
{Input line too long after variable substitution} :dt
|
||||
|
||||
This is a hard (very large) limit defined in the input.cpp file. :dd
|
||||
|
|
@ -2587,10 +2731,18 @@ Cutoffs in pair_coeff command are not valid with read-in pair table. :dd
|
|||
|
||||
Length of read-in pair table is invalid :dd
|
||||
|
||||
{Invalid radius in Atoms section of data file} :dt
|
||||
|
||||
Radius must be >= 0.0. :dd
|
||||
|
||||
{Invalid random number seed in set command} :dt
|
||||
|
||||
Random number seed must be > 0. :dd
|
||||
|
||||
{Invalid region in group function in variable formula} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Invalid region style} :dt
|
||||
|
||||
The choice of region style is unknown. :dd
|
||||
|
|
@ -3152,14 +3304,18 @@ Two atoms are further apart than the pairwise table allows. :dd
|
|||
|
||||
An atom style that stores this, like atom_style dpd, must be used. :dd
|
||||
|
||||
{Pair gayberne cannot be used with atom attribute diameter} :dt
|
||||
|
||||
Finite-size particles must be defined with the shape command. :dd
|
||||
|
||||
{Pair gayberne epsilon a,b,c coeffs are not all set} :dt
|
||||
|
||||
Each atom type involved in pair_style gayberne must
|
||||
have these 3 coefficients set at least once. :dd
|
||||
|
||||
{Pair gayberne requires atom attributes quat, torque} :dt
|
||||
{Pair gayberne requires atom attributes quat, torque, shape} :dt
|
||||
|
||||
The atom style defined does not have these attributes. :dd
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Pair granular requires atom attributes radius, omega, torque} :dt
|
||||
|
||||
|
|
@ -3189,15 +3345,25 @@ rRESPA cutoffs. :dd
|
|||
|
||||
The specified cutoffs for the pair style are inconsistent. :dd
|
||||
|
||||
{Pair lubricate requires atom attributes torque, shape} :dt
|
||||
{Pair lubricate cannot be used with atom attributes diameter or rmass} :dt
|
||||
|
||||
Use a different atom style. :dd
|
||||
These attributes override the shape and mass settings, so cannot be
|
||||
used. :dd
|
||||
|
||||
{Pair lubricate requires atom attributes quat, torque, shape} :dt
|
||||
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Pair lubricate requires extended particles} :dt
|
||||
|
||||
This pair style can only be used for particles with a shape
|
||||
setting. :dd
|
||||
|
||||
{Pair lubricate requires mono-disperse particles} :dt
|
||||
|
||||
This is a current restriction of this pair style. :dd
|
||||
|
||||
{Pair lubricate requires spherical particles} :dt
|
||||
{Pair lubricate requires spherical, mono-disperse particles} :dt
|
||||
|
||||
This is a current restriction of this pair style. :dd
|
||||
|
||||
|
|
@ -3214,6 +3380,10 @@ Use the lattice command for this purpose. :dd
|
|||
Even for atomic systems, an atom map is required to find Peridynamic
|
||||
bonds. Use the atom_modify command to define one. :dd
|
||||
|
||||
{Pair resquared cannot be used with atom attribute diameter} :dt
|
||||
|
||||
This attribute overrides the shape settings, so cannot be used. :dd
|
||||
|
||||
{Pair resquared epsilon a,b,c coeffs are not all set} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
|
@ -3222,13 +3392,13 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Pair resquared requires atom attributes quat, torque} :dt
|
||||
{Pair resquared requires atom attributes quat, torque, shape} :dt
|
||||
|
||||
Use a different atom style. :dd
|
||||
An atom style that defines these attributes must be used. :dd
|
||||
|
||||
{Pair style AIREBO requires atom IDs} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
This is a requirement to use the AIREBO potential. :dd
|
||||
|
||||
{Pair style AIREBO requires newton pair on} :dt
|
||||
|
||||
|
|
@ -3257,6 +3427,10 @@ This is a requirement to use the Tersoff potential. :dd
|
|||
See the newton command. This is a restriction to use the Tersoff
|
||||
potential. :dd
|
||||
|
||||
{Pair style born/coul/long requires atom attribute q} :dt
|
||||
|
||||
An atom style that defines this attribute must be used. :dd
|
||||
|
||||
{Pair style buck/coul/cut requires atom attribute q} :dt
|
||||
|
||||
The atom style defined does not have this attribute. :dd
|
||||
|
|
@ -3274,10 +3448,20 @@ The atom style defined does not have these attributes. :dd
|
|||
The pair style does not have a single() function, so it can
|
||||
not be invoked by bond_style quartic. :dd
|
||||
|
||||
{Pair style does not support compute group/group} :dt
|
||||
|
||||
The pair_style does not have a single() function, so it cannot be
|
||||
invokded by the compute group/group command.
|
||||
|
||||
{Pair style does not support fix bond/swap} :dt
|
||||
|
||||
The pair_style does not have a single() function, so it cannot be
|
||||
invokded by the fix bond/swap command.
|
||||
|
||||
{Pair style does not support pair_write} :dt
|
||||
|
||||
The pair style does not have a single() function, so it can
|
||||
not be invoked by the pair_write command. :dd
|
||||
The pair style does not have a single() function, so it cannot be
|
||||
invoked by the pair_write command. :dd
|
||||
|
||||
{Pair style does not support rRESPA inner/middle/outer} :dt
|
||||
|
||||
|
|
@ -3354,6 +3538,14 @@ An atom_style with this attribute is needed. :dd
|
|||
This is because atom style peri stores quantities needed by
|
||||
the peridynamic potential. :dd
|
||||
|
||||
{Pair style reax requires atom IDs} :dt
|
||||
|
||||
This is a requirement to use the ReaxFF potential. :dd
|
||||
|
||||
{Pair style reax requires newton pair on} :dt
|
||||
|
||||
This is a requirement to use the ReaxFF potential. :dd
|
||||
|
||||
{Pair table cutoffs must all be equal to use with KSpace} :dt
|
||||
|
||||
When using pair style table with a long-range KSpace solver, the
|
||||
|
|
@ -3419,26 +3611,35 @@ needed entry. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Press ID for fix nph does not exist} :dt
|
||||
{Pressure ID for fix box/relax does not exist} :dt
|
||||
|
||||
The compute ID needed to compute pressure for the fix does not
|
||||
exist. :dd
|
||||
|
||||
{Press ID for fix npt does not exist} :dt
|
||||
{Pressure ID for fix nph does not exist} :dt
|
||||
|
||||
The compute ID needed to compute pressure for the fix does not
|
||||
exist. :dd
|
||||
|
||||
{Press ID for fix press/berendsen does not exist} :dt
|
||||
{Pressure ID for fix npt does not exist} :dt
|
||||
|
||||
The compute ID needed to compute pressure for the fix does not
|
||||
exist. :dd
|
||||
|
||||
{Press ID for thermo does not exist} :dt
|
||||
{Pressure ID for fix press/berendsen does not exist} :dt
|
||||
|
||||
The compute ID needed to compute pressure for the fix does not
|
||||
exist. :dd
|
||||
|
||||
{Pressure ID for thermo does not exist} :dt
|
||||
|
||||
The compute ID needed to compute pressure for thermodynamics does not
|
||||
exist. :dd
|
||||
|
||||
{Pressure ID for fix modify does not exist} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Proc grid in z != 1 for 2d simulation} :dt
|
||||
|
||||
There cannot be more than 1 processor in the z dimension of a 2d
|
||||
|
|
@ -3645,30 +3846,35 @@ Self-explanatory. :dd
|
|||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Temp ID for fix nph does not exist} :dt
|
||||
{Temperature ID for fix box/relax does not exist} :dt
|
||||
|
||||
The compute ID needed to compute temperature for the fix does not
|
||||
exist. :dd
|
||||
|
||||
{Temp ID for fix npt does not exist} :dt
|
||||
{Temperature ID for fix nph does not exist} :dt
|
||||
|
||||
The compute ID needed to compute temperature for the fix does not
|
||||
exist. :dd
|
||||
|
||||
{Temp ID for fix nvt does not exist} :dt
|
||||
{Temperature ID for fix npt does not exist} :dt
|
||||
|
||||
The compute ID needed to compute temperature for the fix does not
|
||||
exist. :dd
|
||||
|
||||
{Temp ID for fix press/berendsen does not exist} :dt
|
||||
{Temperature ID for fix nvt does not exist} :dt
|
||||
|
||||
The compute ID needed to compute temperature for the fix does not
|
||||
exist. :dd
|
||||
|
||||
{Temperature ID for fix press/berendsen does not exist} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Temp ID for fix temp/berendsen does not exist} :dt
|
||||
{Temperature ID for fix temp/berendsen does not exist} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Temp ID for fix temp/rescale does not exist} :dt
|
||||
{Temperature ID for fix temp/rescale does not exist} :dt
|
||||
|
||||
The compute ID needed to compute temperature for the fix does not
|
||||
exist. :dd
|
||||
|
|
@ -4117,6 +4323,10 @@ on the same group of atoms that velocities are being set for. :dd
|
|||
|
||||
It is not efficient to use compute centro/atom more than once. :dd
|
||||
|
||||
{More than one compute cna/atom defined} :dt
|
||||
|
||||
It is not efficient to use compute cna/atom more than once. :dd
|
||||
|
||||
{More than one compute coord/atom} :dt
|
||||
|
||||
It is not efficient to use compute coord/atom more than once. :dd
|
||||
|
|
@ -4141,6 +4351,14 @@ It is not efficient to use fix poems more than once. :dd
|
|||
|
||||
It is not efficient to use fix rigid more than once. :dd
|
||||
|
||||
{New thermo_style command, previous thermo_modify settings will be lost} :dt
|
||||
|
||||
If a thermo_style command is used after a thermo_modify command, the
|
||||
settings changed by the thermo_modify command will be reset to their
|
||||
default values. This is because the thermo_modify commmand acts on
|
||||
the currently defined thermo style, and a thermo_style command creates
|
||||
a new style. :dd
|
||||
|
||||
{No fixes defined, atoms won't move} :dt
|
||||
|
||||
If you are not using a fix like nve, nvt, npt then atom velocities and
|
||||
|
|
@ -4152,6 +4370,11 @@ The bodies defined by fix poems are not connected by joints. POEMS
|
|||
will integrate the body motion, but it would be more efficient to use
|
||||
fix rigid. :dd
|
||||
|
||||
{Not using real units with pair reax} :dt
|
||||
|
||||
This is most likely an error, unless you have created your own ReaxFF
|
||||
parameter file in a different set of units. :dd
|
||||
|
||||
{One or more atoms are time integrated more than once} :dt
|
||||
|
||||
This is probably an error since you typically do not want to
|
||||
|
|
@ -4205,6 +4428,19 @@ different 3d grid of processors. Due to round-off, the trajectories
|
|||
of your restarted simulation may diverge a little more quickly than if
|
||||
you ran on the same # of processors. :dd
|
||||
|
||||
{Restart file used different boundary settings, using restart file values} :dt
|
||||
|
||||
Your input script cannot change these settings in the restart file.
|
||||
|
||||
{Restart file used different newton bond setting, using restart file value} :dt
|
||||
|
||||
Your input script cannot change this setting in the restart file.
|
||||
|
||||
{Restart file used different newton pair setting, using input script value} :dt
|
||||
|
||||
Your input script can change this setting in the restart file, but you
|
||||
may not wish to do so.
|
||||
|
||||
{Restart file version does not match LAMMPS version} :dt
|
||||
|
||||
The version of LAMMPS that wrote the restart file does not match the
|
||||
|
|
@ -4251,13 +4487,17 @@ pressure, the kinetic energy contribution from the temperature is
|
|||
assumed to also be for all atoms. Thus the pressure printed by thermo
|
||||
could be inaccurate. :dd
|
||||
|
||||
{Too many inner timesteps in fix ttm} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Use special bonds = 0,1,1 with bond style fene/expand} :dt
|
||||
|
||||
Most FENE models use this setting for the special_bonds command. :dd
|
||||
Most FENE models need this setting for the special_bonds command. :dd
|
||||
|
||||
{Use special bonds = 0,1,1 with bond style fene} :dt
|
||||
|
||||
Most FENE models use this setting for the special_bonds command. :dd
|
||||
Most FENE models need this setting for the special_bonds command. :dd
|
||||
|
||||
{Using compute temp/deform with inconsistent fix deform remap option} :dt
|
||||
|
||||
|
|
@ -4266,7 +4506,8 @@ by "remap v" or "remap none" as a fix deform option. :dd
|
|||
|
||||
{Using compute temp/deform with no fix deform defined} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
This is probably an error, since it makes little sense to use
|
||||
compute temp/deform in this case. :dd
|
||||
|
||||
{Using pair tail corrections with nonperiodic system} :dt
|
||||
|
||||
|
|
|
|||
|
|
@ -23,7 +23,7 @@
|
|||
|
||||
<LI>one or more keyword/value pairs may be appended
|
||||
|
||||
<LI>keyword = <I>sphere</I> or <I>cylinder</I> or <I>plane</I> or <I>vel</I> or <I>rstart</I> or <I>units</I>
|
||||
<LI>keyword = <I>sphere</I> or <I>cylinder</I> or <I>plane</I> or <I>vel</I> or <I>rstart</I> or <I>side</I> or <I>units</I>
|
||||
|
||||
<PRE> <I>sphere</I> args = x y z R
|
||||
x,y,z = initial position of center of indenter (distance units)
|
||||
|
|
@ -41,6 +41,9 @@
|
|||
<I>rstart</I> value = R0
|
||||
R0 = sphere or cylinder radius at start of run (distance units)
|
||||
R is value at end of run, so indenter expands/contracts over time
|
||||
<I>side</I> value = <I>in</I> or <I>out</I>
|
||||
<I>in</I> = the indenter acts on particles inside the sphere or cylinder
|
||||
<I>out</I> = the indenter acts on particles outside the sphere or cylinder
|
||||
<I>units</I> value = <I>lattice</I> or <I>box</I>
|
||||
lattice = the geometry is defined in lattice units
|
||||
box = the geometry is defined in simulation box units
|
||||
|
|
@ -56,7 +59,8 @@ fix 2 flow indent 10.0 cylinder z 0.0 0.0 10.0 units box
|
|||
</P>
|
||||
<P>Insert an indenter within a simulation box. The indenter repels all
|
||||
atoms that touch it, so it can be used to push into a material or as
|
||||
an obstacle in a flow.
|
||||
an obstacle in a flow. Or it can be used as a constraining wall
|
||||
around a simulation; see the discussion of the <I>side</I> keyword below.
|
||||
</P>
|
||||
<P>The indenter can either be spherical or cylindrical or planar. You
|
||||
must set one of those 3 keywords.
|
||||
|
|
@ -92,11 +96,20 @@ of the indenter (x,y,z) does not change, so it will continue to move
|
|||
at the specified velocity.
|
||||
</P>
|
||||
<P>If the <I>rstart</I> keyword is specified, then the radius of the indenter
|
||||
is a time-dependent quantity. R0 is the value assigned at the start
|
||||
of the run; R is the value at the end. At intermediate times, the
|
||||
radius is linearly interpolated between these two values. This option
|
||||
can be used, for example, to grow/shrink a void within the simulation
|
||||
box.
|
||||
is a time-dependent quantity. This only applies to spherical or
|
||||
cylindrical indenters. R0 is the value assigned at the start of the
|
||||
run; R is the value at the end. At intermediate times, the radius is
|
||||
linearly interpolated between these two values. This option can be
|
||||
used, for example, to grow/shrink a void within the simulation box.
|
||||
</P>
|
||||
<P>If the <I>side</I> keyword is specified as <I>out</I>, which is the default,
|
||||
then particles outside the indenter are pushded away from its outer
|
||||
surface, as described above. This only applies to spherical or
|
||||
cylindrical indenters. If the <I>side</I> keyword is specified as <I>in</I>,
|
||||
the action of the indenter is reversed. Particles inside the indenter
|
||||
are pushed away from its inner surface. In other words, the indenter
|
||||
is now a containing wall that traps the particles inside it. If the
|
||||
radius shrinks over time, it will squeeze the particles.
|
||||
</P>
|
||||
<P>The <I>units</I> keyword determines the meaning of the distance units used
|
||||
to define the indenter. A <I>box</I> value selects standard distance units
|
||||
|
|
@ -151,6 +164,6 @@ being minimized), you must enable the <A HREF = "fix_modify.html">fix_modify</A>
|
|||
</P>
|
||||
<P><B>Default:</B>
|
||||
</P>
|
||||
<P>The option defaults are vel = 0,0,0 and units = lattice.
|
||||
<P>The option defaults are vel = 0,0,0, side = out, and units = lattice.
|
||||
</P>
|
||||
</HTML>
|
||||
|
|
|
|||
|
|
@ -16,7 +16,7 @@ ID, group-ID are documented in "fix"_fix.html command :ulb,l
|
|||
indent = style name of this fix command :l
|
||||
k = force constant for indenter surface (force/distance^2 units) :l
|
||||
one or more keyword/value pairs may be appended :l
|
||||
keyword = {sphere} or {cylinder} or {plane} or {vel} or {rstart} or {units} :l
|
||||
keyword = {sphere} or {cylinder} or {plane} or {vel} or {rstart} or {side} or {units} :l
|
||||
{sphere} args = x y z R
|
||||
x,y,z = initial position of center of indenter (distance units)
|
||||
R = sphere radius of indenter (distance units)
|
||||
|
|
@ -33,6 +33,9 @@ keyword = {sphere} or {cylinder} or {plane} or {vel} or {rstart} or {units} :l
|
|||
{rstart} value = R0
|
||||
R0 = sphere or cylinder radius at start of run (distance units)
|
||||
R is value at end of run, so indenter expands/contracts over time
|
||||
{side} value = {in} or {out}
|
||||
{in} = the indenter acts on particles inside the sphere or cylinder
|
||||
{out} = the indenter acts on particles outside the sphere or cylinder
|
||||
{units} value = {lattice} or {box}
|
||||
lattice = the geometry is defined in lattice units
|
||||
box = the geometry is defined in simulation box units :pre
|
||||
|
|
@ -47,7 +50,8 @@ fix 2 flow indent 10.0 cylinder z 0.0 0.0 10.0 units box :pre
|
|||
|
||||
Insert an indenter within a simulation box. The indenter repels all
|
||||
atoms that touch it, so it can be used to push into a material or as
|
||||
an obstacle in a flow.
|
||||
an obstacle in a flow. Or it can be used as a constraining wall
|
||||
around a simulation; see the discussion of the {side} keyword below.
|
||||
|
||||
The indenter can either be spherical or cylindrical or planar. You
|
||||
must set one of those 3 keywords.
|
||||
|
|
@ -83,11 +87,20 @@ of the indenter (x,y,z) does not change, so it will continue to move
|
|||
at the specified velocity.
|
||||
|
||||
If the {rstart} keyword is specified, then the radius of the indenter
|
||||
is a time-dependent quantity. R0 is the value assigned at the start
|
||||
of the run; R is the value at the end. At intermediate times, the
|
||||
radius is linearly interpolated between these two values. This option
|
||||
can be used, for example, to grow/shrink a void within the simulation
|
||||
box.
|
||||
is a time-dependent quantity. This only applies to spherical or
|
||||
cylindrical indenters. R0 is the value assigned at the start of the
|
||||
run; R is the value at the end. At intermediate times, the radius is
|
||||
linearly interpolated between these two values. This option can be
|
||||
used, for example, to grow/shrink a void within the simulation box.
|
||||
|
||||
If the {side} keyword is specified as {out}, which is the default,
|
||||
then particles outside the indenter are pushded away from its outer
|
||||
surface, as described above. This only applies to spherical or
|
||||
cylindrical indenters. If the {side} keyword is specified as {in},
|
||||
the action of the indenter is reversed. Particles inside the indenter
|
||||
are pushed away from its inner surface. In other words, the indenter
|
||||
is now a containing wall that traps the particles inside it. If the
|
||||
radius shrinks over time, it will squeeze the particles.
|
||||
|
||||
The {units} keyword determines the meaning of the distance units used
|
||||
to define the indenter. A {box} value selects standard distance units
|
||||
|
|
@ -142,4 +155,4 @@ being minimized), you must enable the "fix_modify"_fix_modify.html
|
|||
|
||||
[Default:]
|
||||
|
||||
The option defaults are vel = 0,0,0 and units = lattice.
|
||||
The option defaults are vel = 0,0,0, side = out, and units = lattice.
|
||||
|
|
|
|||
Loading…
Reference in New Issue