git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
@ -377,6 +377,11 @@ bond_coeff command. :dd
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Cannot use fix shake unless bond potential is defined. :dd
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{Bond style does not support computing per-atom bond energy} :dt
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The bond style does not have a single() function, so it can not be
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used to compute per-atom bond energy. :dd
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{Bond style hybrid cannot have hybrid as an argument} :dt
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Self-explanatory. :dd
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@ -441,14 +446,23 @@ The Self-explanatory. :dd
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This feature is not yet supported. :dd
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{Cannot (yet) use fix ave/spatial with triclinic box} :dt
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This feature is not yet supported. :dd
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{Cannot build parse tree for variable that is not atom style} :dt
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Only atom style variables can be evaluated once per atom. :dd
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{Cannot change box to orthogonal when tilt is non-zero} :dt
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Self-explanatory :dd
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{Cannot change box with certain fixes defined} :dt
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The change_box command cannot be used when fix ave/spatial or
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fix/deform are defined . :dd
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{Cannot change box with dumps defined} :dt
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Self-explanatory. :dd
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{Cannot change dump_modify every for dump dcd} :dt
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The frequency of writing dump dcd snapshots cannot be changed. :dd
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@ -485,6 +499,10 @@ command. :dd
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The create_box command cannot be used after a read_data, read_restart,
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or create_box command. :dd
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{Cannot displace_box on a non-periodic boundary} :dt
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Self-explantory. :dd
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{Cannot dump scaled coords with triclinic box} :dt
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Use dump custom with x,y,z instead. :dd
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@ -505,6 +523,10 @@ Only a periodiic boundary can be modified. :dd
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These 2 options are contradictory. :dd
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{Cannot open AIREBO potential file %s} :dt
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Self-explanatory. :dd
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{Cannot open EAM potential file %s} :dt
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The specified EAM potential file cannot be opened. Check that the
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@ -647,6 +669,11 @@ read_restart, or create_box command. :dd
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The read_restart command cannot be used after a read_data,
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read_restart, or create_box command. :dd
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{Cannot redefine variable as a different style} :dt
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An equal-style variable can be re-defined but only if it was
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originally an equal-style variable. :dd
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{Cannot replicate 2d simulation in z dimension} :dt
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The replicate command cannot replicate a 2d simulation in the z
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@ -715,15 +742,15 @@ This feature is not yet supported. :dd
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The kspace style pppm cannot be used in 2d simulations. You can use
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2d PPPM in a 3d simulation; see the kspace_modify command. :dd
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{Cannot use atom style ellipsoid for 2d simulation} :dt
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2d ellipsoids are not yet suppported. :dd
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{Cannot use atom vector in variable unless atom map exists} :dt
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Atom maps are on by default, but can be turned off be the atom_modify
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command. :dd
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{Cannot use both region, partial options in fix temp/rescale} :dt
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Self-explanatory. :dd
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{Cannot use delete_atoms unless atoms have IDs} :dt
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Your atoms do not have IDs, so the delete_atoms command cannot be
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@ -737,14 +764,15 @@ Your choice of atom style does not have bonds. :dd
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Your choice of atom style does not have bonds. :dd
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{Cannot use fix deform for 0 timestep run} :dt
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Cannot reshape or resize the box in 0 timesteps. :dd
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{Cannot use fix deform trate on a box with zero tilt} :dt
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The trate style alters the current strain. :dd
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{Cannot use fix langevin without per-type mass defined} :dt
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Some atom styles use a per-atom mass which is incompatible with fix
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langevin. :dd
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{Cannot use fix nph on a non-periodic dimension} :dt
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Only periodic dimensions can be controlled with this fix. :dd
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@ -773,10 +801,6 @@ The defined atom style uses per-atom mass, not per-type mass. :dd
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The defined atom style uses per-atom mass, not per-type mass. :dd
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{Cannot use fix poems with atom style granular} :dt
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This fix is not yet enabled for this atom style. :dd
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{Cannot use fix pour with triclinic box} :dt
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This feature is not yet supported. :dd
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@ -789,6 +813,12 @@ Your choice of atom style does not have bonds. :dd
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No atoms in system have a non-zero charge. :dd
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{Cannot use neighbor bins - box size << cutoff} :dt
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Too many neighbor bins will be created. This typically happens when
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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. :dd
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{Cannot use nonperiodic boundaries with Ewald} :dt
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For kspace style ewald, all 3 dimensions must have periodic boundaries
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@ -805,13 +835,7 @@ non-periodic z dimension. :dd
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The correction factors are only currently defined for 3d systems. :dd
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{Cannot use rRESPA with full neighbor lists} :dt
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Defined pair style uses full neighbor lists (as opposed to
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half neighbor lists), which are incompatible with the current
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implementation of rRESPA. :dd
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{Cannot use region INF when box does not exist} :dt
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{Cannot use region INF or EDGE when box does not exist} :dt
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Regions that extend to the box boundaries can only be used after the
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create_box command has been used. :dd
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@ -839,6 +863,19 @@ Self-explanatory. :dd
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The collection of atoms for which momentum is being computed has no
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atoms. :dd
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{Change_box command before simulation box is defined} :dt
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Self-explanatory. :dd
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{Change_box operation is invalid} :dt
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Cannot change orthogonal box to orthogonal or a triclinic box to
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triclinic. :dd
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{Compute ID for fix ave/atom does not exist} :dt
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Self-explanatory. :dd
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{Compute ID for fix ave/spatial does not exist} :dt
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Self-explanatory. :dd
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@ -865,6 +902,10 @@ temperature. :dd
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The atom style defined does not have these attributes. :dd
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{Compute sum/atom compute does not compute vector per atom} :dt
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If one compute in list calculates a vector, all of them must. :dd
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{Compute temp/asphere requires atom attributes quat, angmom} :dt
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The atom style defined does not have these attributes. :dd
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@ -885,11 +926,6 @@ The FFT setup in pppm failed. :dd
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Self-explanatory. :dd
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{Could not find compute etotal/atom pre-compute ID} :dt
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The compute ID for calculating per-atom pairwise energy
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does not exist. :dd
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{Could not find compute group ID} :dt
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Self-explanatory. :dd
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@ -898,6 +934,11 @@ Self-explanatory. :dd
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The compute ID for calculating temperature does not exist. :dd
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{Could not find compute sum/atom pre-compute ID} :dt
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The compute ID for calculating the requested per-atom quantity does
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not exist. :dd
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{Could not find compute variable name} :dt
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The variable being used by a compute is not defined. :dd
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@ -922,11 +963,19 @@ Region ID used in the delete_atoms command does not exist. :dd
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A group ID used in the displace_atoms command does not exist. :dd
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{Could not find displace_box group ID} :dt
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Self-explanatory. :dd
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{Could not find dump custom compute ID} :dt
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The compute ID needed by dump custom to compute a per-atom quantity
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does not exist. :dd
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{Could not find dump custom fix ID} :dt
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Self-explanatory. :dd
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{Could not find dump group ID} :dt
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A group ID used in the dump command does not exist. :dd
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@ -1032,6 +1081,11 @@ does not exist. :dd
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A compute required to evaulate a variable does not have its pre-compute
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defined. :dd
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{Coulomb cutoffs of pair hybrid sub-styles do not match} :dt
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If using a Kspace solver, all Coulomb cutoffs of long pair styles must
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be the same. :dd
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{Cound not find dump_modify ID} :dt
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Self-explanatory. :dd
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@ -1081,6 +1135,10 @@ read_restart, or create_box command. :dd
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No atoms are yet defined so the delete_bonds command cannot be used. :dd
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{Deposition region extends outside simulation box} :dt
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Self-explatory. :dd
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{Did not assign all atoms correctly} :dt
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Atoms read in from a data file were not assigned correctly to
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@ -1188,12 +1246,26 @@ read_restart, or create_box command. :dd
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The displace_atoms command cannot be used before a read_data,
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read_restart, or create_box command. :dd
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{Displace_box command before simulation box is defined} :dt
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Self-explanatory. :dd
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{Displace_box tilt factors require triclinic box} :dt
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Cannot use tilt factors unless the simulation box is
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non-orthogonal. :dd
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{Domain too large for neighbor bins} :dt
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The domain has become extremely large so that neighbor bins cannot be
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used. Most likely, one or more atoms have been blown out of the
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simulation box to a great distance. :dd
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{Dump custom and fix not computed at compatible times} :dt
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The fix must produce per-atom quantities on timesteps that dump custom
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needs them. :dd
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{Dump custom compute ID does not compute peratom info} :dt
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The compute ID used must compute peratom info, not
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@ -1212,6 +1284,23 @@ The compute ID used must compute a vector of peratom data. :dd
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The compute ID vector of peratom data is not as large as is
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being accessed. :dd
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{Dump custom fix ID does not compute peratom info} :dt
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The specified fix does not calculate per-atom values. :dd
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{Dump custom fix ID does not compute scalar per atom} :dt
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The dump custom command is attempting to access a scalar quantity. :dd
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{Dump custom fix ID does not compute vector per atom} :dt
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The dump custom command is attempting to access a vector quantity. :dd
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{Dump custom fix ID vector is not large enough} :dt
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The dump custom command is attempting to access an out-of-range vector
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value. :dd
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{Dump dcd must use group all} :dt
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Self-explanatory. :dd
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@ -1251,11 +1340,47 @@ smaller simulation or on more processors. :dd
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Self-explanatory. :dd
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{Fix ID for fix ave/spatial does not exist} :dt
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Self-explanatory. :dd
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{Fix ave/atom cannot be started on this timestep} :dt
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The first timestep on which data needs to be accumulated for
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the average is before the current timestep. :dd
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{Fix ave/atom compute does not calculate per-atom info} :dt
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The specified compute does not calculate per-atom values. :dd
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{Fix ave/spatial and fix not computed at compatible times} :dt
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The fix must produce per-atom quantities on timesteps that fix
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ave/spatial needs them. :dd
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{Fix ave/spatial cannot be started on this timestep} :dt
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The first timestep on which data needs to be accumulated for
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the average is before the current timestep. :dd
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{Fix ave/spatial compute does not calculate per-atom info} :dt
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Only computes that calculate a per-atom quantity (not a scalar or
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vector quantity can be used with fix ave/spatial. :dd
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{Fix ave/spatial fix does not calculate per-atom info} :dt
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The specified fix does not calculate per-atom values. :dd
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{Fix ave/spatial for triclinic boxes requires units reduced} :dt
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Self-explanatory. :dd
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{Fix ave/time cannot be started on this timestep} :dt
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The first timestep on which data needs to be accumulated for
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the average is before the current timestep. :dd
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{Fix ave/time compute does not calculate a scalar} :dt
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Only computes that calculate a scalar or vector quantity (not a
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@ -1518,6 +1643,10 @@ definitions. :dd
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The data file header lists improper but no improper types. :dd
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{Inconsistent sizes of compute sum/atom compute vectors} :dt
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All vectors of the computes in the list must be the same length. :dd
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{Incorrect args for angle coefficients} :dt
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Self-explanatory. Check the input script or data file. :dd
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@ -1594,6 +1723,11 @@ of the data file. The read-in lines do not match. :dd
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Self-explanatory. Check the input script or data file. :dd
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{Induced tilt by displace_box is too large} :dt
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The final tilt value must be between -1/2 and 1/2 of the perpendicular
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box length. :dd
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{Input line too long after variable substitution} :dt
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This is a hard (very large) limit defined in the input.cpp file. :dd
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@ -1845,6 +1979,14 @@ to be written by each processor. :dd
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Operator keyword used for threshhold specification in not recognized. :dd
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{Invalid fix nph command for a 2d simulation} :dt
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Cannot use style xy, yz, or xz for a 2d simulation. :dd
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{Invalid fix npt command for a 2d simulation} :dt
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Cannot use style xy, yz, or xz for a 2d simulation. :dd
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{Invalid fix style} :dt
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The choice of fix style is unknown. :dd
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@ -1861,6 +2003,10 @@ Unrecognized entry in restart file. :dd
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Unrecognized entry in restart file. :dd
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{Invalid frequency in temper command} :dt
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Nevery must be > 0. :dd
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{Invalid group ID in neigh_modify command} :dt
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A group ID used in the neigh_modify command does not exist. :dd
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@ -2055,9 +2201,13 @@ Each x,y,z spacing must be > 0. :dd
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2d simulation can use sq, sq2, or hex lattice. 3d simulation can use
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sc, bcc, or fcc lattice. :dd
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{Lost atoms via displacement: original %.15g current %.15g} :dt
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{Lost atoms via displace_atoms: original %.15g current %.15g} :dt
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Moving atoms via the displace_atoms command lost one or more atoms. :dd
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The displace_atoms command lost one or more atoms. :dd
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{Lost atoms via displace_box: original %.15g current %.15g} :dt
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|
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The displace_box command lost one or more atoms. :dd
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{Lost atoms: original %.15g current %.15g} :dt
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@ -2277,11 +2427,11 @@ There are too many neighbors of a single atom. Use the neigh_modify
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command to increase the neighbor page size and the max number of
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neighbors allowed for one atom. :dd
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|
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{Neighbor multi not allowed with granular} :dt
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{Neighbor multi not yet enabled for granular} :dt
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|
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Self-explanatory. :dd
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|
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{Neighbor multi not allowed with rRESPA} :dt
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{Neighbor multi not yet enabled for rRESPA} :dt
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|
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Self-explanatory. :dd
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||||
|
||||
@ -2401,6 +2551,11 @@ The atom style defined does not have these attributes. :dd
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|
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The atom style defined does not have these attributes. :dd
|
||||
|
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{Pair hybrid sub-style is not used} :dt
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|
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No pair_coeff command used a sub-style specified in the pair_style
|
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command. :dd
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|
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{Pair inner cutoff < Respa interior cutoff} :dt
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|
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One or more pairwise cutoffs are too short to use with the specified
|
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@ -2410,6 +2565,14 @@ rRESPA cutoffs. :dd
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|
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The specified cutoffs for the pair style are inconsistent. :dd
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||||
|
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{Pair style AIREBO requires atom IDs} :dt
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|
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Self-explanatory. :dd
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|
||||
{Pair style AIREBO requires newton pair on} :dt
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||||
|
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Self-explanatory. :dd
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||||
|
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{Pair style MEAM requires newton pair on} :dt
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|
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See the newton command. This is a restriction to use the MEAM
|
||||
@ -2441,6 +2604,10 @@ The atom style defined does not have this attribute. :dd
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|
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The atom style defined does not have these attributes. :dd
|
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|
||||
{Pair style coul/cut requires atom attribute q} :dt
|
||||
|
||||
The atom style defined does not have these attributes. :dd
|
||||
|
||||
{Pair style does not support bond_style quartic} :dt
|
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|
||||
The pair style does not have a single() function, so it can
|
||||
@ -2449,12 +2616,12 @@ not be invoked by bond_style quartic. :dd
|
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{Pair style does not support computing per-atom energy} :dt
|
||||
|
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The pair style does not have a single() function, so it can
|
||||
not be used to dump per-atom energy. :dd
|
||||
not be used to compute per-atom energy. :dd
|
||||
|
||||
{Pair style does not support computing per-atom stress} :dt
|
||||
|
||||
The pair style does not have a single() function, so it can
|
||||
not be used to dump per-atom stress. :dd
|
||||
not be used to compute per-atom stress. :dd
|
||||
|
||||
{Pair style does not support pair_write} :dt
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||||
|
||||
@ -2480,6 +2647,10 @@ cannot be tracked by the granular pair potential. :dd
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Pair style hybrid cannot have none as an argument} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Pair style hybrid cannot use same pair style twice} :dt
|
||||
|
||||
The sub-style arguments of pair_style hybrid cannot be duplicated.
|
||||
@ -2551,10 +2722,6 @@ read_restart, or create_box command. :dd
|
||||
|
||||
Self-explanatory. :dd
|
||||
|
||||
{Pair_style granular command before simulation box is defined} :dt
|
||||
|
||||
This pair style cannot be used before a simulation box is defined. :dd
|
||||
|
||||
{Pair_write command before pair_style is defined} :dt
|
||||
|
||||
Self-explanatory. :dd
|
||||
@ -2584,6 +2751,11 @@ compute, which isn't defined. :dd
|
||||
The compute used by fix ave/time requires a second pre-computation
|
||||
compute, which isn't defined. :dd
|
||||
|
||||
{Precompute ID of compute for fix ave/atom does not exist} :dt
|
||||
|
||||
The compute specified for fix ave/atom has other pre-computed computes
|
||||
defined. One of them does not exist. :dd
|
||||
|
||||
{Press ID for fix nph does not exist} :dt
|
||||
|
||||
The compute ID needed to compute pressure for the fix does not
|
||||
@ -2898,7 +3070,7 @@ The specified compute ID does not compute temperature. :dd
|
||||
The thermo_style command cannot be used before a read_data,
|
||||
read_restart, or create_box command. :dd
|
||||
|
||||
{Thermodynamics must compute PE for temper} :dt
|
||||
{Thermodynamics must compute PE for temper command} :dt
|
||||
|
||||
The thermo style must insure that thermodynamics computations include
|
||||
potential energy when tempering is performed. :dd
|
||||
@ -3027,6 +3199,11 @@ option is set to lattice. :dd
|
||||
Must use lattice command with displace_atoms command if units option
|
||||
is set to lattice. :dd
|
||||
|
||||
{Use of displace_box with undefined lattice} :dt
|
||||
|
||||
Must use lattice command with displace_box command if units option is
|
||||
set to lattice. :dd
|
||||
|
||||
{Use of fix ave/spatial with undefined lattice} :dt
|
||||
|
||||
A lattice must be defined to use fix ave/spatial with units = lattice. :dd
|
||||
@ -3179,14 +3356,14 @@ It is not efficient to use compute centro/atom more than once. :dd
|
||||
|
||||
It is not efficient to use compute coord/atom more than once. :dd
|
||||
|
||||
{More than one compute ebond/atom} :dt
|
||||
|
||||
It is not efficient to use compute ebond/atom more than once. :dd
|
||||
|
||||
{More than one compute epair/atom} :dt
|
||||
|
||||
It is not efficient to use compute epair/atom more than once. :dd
|
||||
|
||||
{More than one compute etotal/atom} :dt
|
||||
|
||||
It is not efficient to use compute etotal/atom more than once. :dd
|
||||
|
||||
{More than one compute ke/atom} :dt
|
||||
|
||||
It is not efficient to use compute ke/atom more than once. :dd
|
||||
|
||||
Reference in New Issue
Block a user