git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10196 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
@ -93,11 +93,6 @@ E: Cannot change_box in xz or yz for 2d simulation
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Self-explanatory.
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Self-explanatory.
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E: Use of change_box with undefined lattice
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Must use lattice command with displace_box command if units option is
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set to lattice.
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E: Cannot change box tilt factors for orthogonal box
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E: Cannot change box tilt factors for orthogonal box
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Cannot use tilt factors unless the simulation box is non-orthogonal.
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Cannot use tilt factors unless the simulation box is non-orthogonal.
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@ -126,4 +121,9 @@ W: Lost atoms via change_box: original %ld current %ld
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The command options you have used caused atoms to be lost.
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The command options you have used caused atoms to be lost.
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U: Use of change_box with undefined lattice
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Must use lattice command with displace_box command if units option is
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set to lattice.
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*/
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*/
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@ -63,7 +63,7 @@ Self-explanatory. Check the input script syntax and compare to the
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|||||||
documentation for the command. You can use -echo screen as a
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documentation for the command. You can use -echo screen as a
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||||||
command-line option when running LAMMPS to see the offending line.
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command-line option when running LAMMPS to see the offending line.
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E: Use of compute temp/ramp with undefined lattice
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U: Use of compute temp/ramp with undefined lattice
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Must use lattice command with compute temp/ramp command if units
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Must use lattice command with compute temp/ramp command if units
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option is set to lattice.
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option is set to lattice.
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@ -76,6 +76,10 @@ E: Create_atoms region ID does not exist
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A region ID used in the create_atoms command does not exist.
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A region ID used in the create_atoms command does not exist.
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E: Invalid basis setting in create_atoms command
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UNDOCUMENTED
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E: Cannot create atoms with undefined lattice
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E: Cannot create atoms with undefined lattice
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Must use the lattice command before using the create_atoms
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Must use the lattice command before using the create_atoms
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@ -62,11 +62,6 @@ E: Could not find displace_atoms group ID
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Group ID used in the displace_atoms command does not exist.
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Group ID used in the displace_atoms command does not exist.
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E: Use of displace_atoms with undefined lattice
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Must use lattice command with displace_atoms command if units option
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is set to lattice.
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E: Invalid displace_atoms rotate axis for 2d
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E: Invalid displace_atoms rotate axis for 2d
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Axis must be in z direction.
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Axis must be in z direction.
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@ -79,4 +74,9 @@ W: Lost atoms via displace_atoms: original %ld current %ld
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The command options you have used caused atoms to be lost.
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The command options you have used caused atoms to be lost.
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U: Use of displace_atoms with undefined lattice
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Must use lattice command with displace_atoms command if units option
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is set to lattice.
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*/
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*/
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12
src/dump.h
12
src/dump.h
@ -126,6 +126,10 @@ class Dump : protected Pointers {
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/* ERROR/WARNING messages:
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/* ERROR/WARNING messages:
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E: Cannot dump sort when multiple procs write the dump file
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UNDOCUMENTED
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E: Cannot dump sort on atom IDs with no atom IDs defined
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E: Cannot dump sort on atom IDs with no atom IDs defined
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Self-explanatory.
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Self-explanatory.
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@ -159,4 +163,12 @@ Self-explanatory. Check the input script syntax and compare to the
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documentation for the command. You can use -echo screen as a
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documentation for the command. You can use -echo screen as a
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||||||
command-line option when running LAMMPS to see the offending line.
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command-line option when running LAMMPS to see the offending line.
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E: Cannot use dump_modify fileper without % in dump file name
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UNDOCUMENTED
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E: Cannot use dump_modify nfile without % in dump file name
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UNDOCUMENTED
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*/
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*/
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@ -160,10 +160,6 @@ E: Fix ave/spatial for triclinic boxes requires units reduced
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Self-explanatory.
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Self-explanatory.
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E: Use of fix ave/spatial with undefined lattice
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A lattice must be defined to use fix ave/spatial with units = lattice.
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E: Fix ave/spatial settings invalid with changing box
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E: Fix ave/spatial settings invalid with changing box
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If the ave setting is "running" or "window" and the box size/shape
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If the ave setting is "running" or "window" and the box size/shape
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@ -180,4 +176,8 @@ E: Fix ave/spatial missed timestep
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You cannot reset the timestep to a value beyond where the fix
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You cannot reset the timestep to a value beyond where the fix
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expects to next perform averaging.
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expects to next perform averaging.
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U: Use of fix ave/spatial with undefined lattice
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A lattice must be defined to use fix ave/spatial with units = lattice.
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*/
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*/
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@ -96,10 +96,6 @@ E: Cannot use fix deform tilt on a shrink-wrapped 2nd dim
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This is because the shrink-wrapping will change the value
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This is because the shrink-wrapping will change the value
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of the strain implied by the tilt factor.
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of the strain implied by the tilt factor.
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E: Use of fix deform with undefined lattice
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A lattice must be defined to use fix deform with units = lattice.
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E: Fix deform volume setting is invalid
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E: Fix deform volume setting is invalid
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Cannot use volume style unless other dimensions are being controlled.
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Cannot use volume style unless other dimensions are being controlled.
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@ -136,4 +132,8 @@ When both yz and xy are changing, it induces changes in xz if the
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box must flip from one tilt extreme to another. Thus it is not
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box must flip from one tilt extreme to another. Thus it is not
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allowed for yz to grow so much that a flip is induced.
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allowed for yz to grow so much that a flip is induced.
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U: Use of fix deform with undefined lattice
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A lattice must be defined to use fix deform with units = lattice.
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*/
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*/
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@ -80,11 +80,6 @@ E: Deposition region extends outside simulation box
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Self-explanatory.
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Self-explanatory.
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E: Use of fix deposit with undefined lattice
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Must use lattice command with compute fix deposit command if units
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option is set to lattice.
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E: Region ID for fix deposit does not exist
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E: Region ID for fix deposit does not exist
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||||||
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Self-explanatory.
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Self-explanatory.
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@ -95,4 +90,9 @@ The fix deposit command was not able to insert as many atoms as
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needed. The requested volume fraction may be too high, or other atoms
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needed. The requested volume fraction may be too high, or other atoms
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may be in the insertion region.
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may be in the insertion region.
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U: Use of fix deposit with undefined lattice
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Must use lattice command with compute fix deposit command if units
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option is set to lattice.
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||||||
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||||||
*/
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*/
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||||||
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|||||||
@ -57,14 +57,14 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||||||
documentation for the command. You can use -echo screen as a
|
documentation for the command. You can use -echo screen as a
|
||||||
command-line option when running LAMMPS to see the offending line.
|
command-line option when running LAMMPS to see the offending line.
|
||||||
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E: Use of fix dt/reset with undefined lattice
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Must use lattice command with fix dt/reset command if units option is
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set to lattice.
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W: Dump dcd/xtc timestamp may be wrong with fix dt/reset
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W: Dump dcd/xtc timestamp may be wrong with fix dt/reset
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If the fix changes the timestep, the dump dcd file will not
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If the fix changes the timestep, the dump dcd file will not
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reflect the change.
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reflect the change.
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U: Use of fix dt/reset with undefined lattice
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Must use lattice command with fix dt/reset command if units option is
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set to lattice.
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||||||
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||||||
*/
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*/
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||||||
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@ -65,11 +65,6 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||||||
documentation for the command. You can use -echo screen as a
|
documentation for the command. You can use -echo screen as a
|
||||||
command-line option when running LAMMPS to see the offending line.
|
command-line option when running LAMMPS to see the offending line.
|
||||||
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E: Use of fix indent with undefined lattice
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||||||
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||||||
The lattice command must be used to define a lattice before using the
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fix indent command.
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E: Variable name for fix indent does not exist
|
E: Variable name for fix indent does not exist
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||||||
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||||||
Self-explanatory.
|
Self-explanatory.
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||||||
@ -82,4 +77,9 @@ E: Variable for fix indent is not equal style
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||||||
Only equal-style variables can be used.
|
Only equal-style variables can be used.
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||||||
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U: Use of fix indent with undefined lattice
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||||||
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||||||
|
The lattice command must be used to define a lattice before using the
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||||||
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fix indent command.
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||||||
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||||||
*/
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*/
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||||||
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@ -126,15 +126,15 @@ E: Fix langevin angmom requires extended particles
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|||||||
|
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||||||
This fix option cannot be used with point paritlces.
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This fix option cannot be used with point paritlces.
|
||||||
|
|
||||||
E: Fix langevin variable returned negative temperature
|
|
||||||
|
|
||||||
Self-explanatory.
|
|
||||||
|
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||||||
E: Cannot zero Langevin force of 0 atoms
|
E: Cannot zero Langevin force of 0 atoms
|
||||||
|
|
||||||
The group has zero atoms, so you cannot request its force
|
The group has zero atoms, so you cannot request its force
|
||||||
be zeroed.
|
be zeroed.
|
||||||
|
|
||||||
|
E: Fix langevin variable returned negative temperature
|
||||||
|
|
||||||
|
Self-explanatory.
|
||||||
|
|
||||||
E: Could not find fix_modify temperature ID
|
E: Could not find fix_modify temperature ID
|
||||||
|
|
||||||
The compute ID for computing temperature does not exist.
|
The compute ID for computing temperature does not exist.
|
||||||
|
|||||||
@ -107,11 +107,6 @@ W: Fix move does not update quaternions
|
|||||||
|
|
||||||
Atoms store this quantity, but fix move does not (yet) update it.
|
Atoms store this quantity, but fix move does not (yet) update it.
|
||||||
|
|
||||||
E: Use of fix move with undefined lattice
|
|
||||||
|
|
||||||
Must use lattice command with fix move command if units option is
|
|
||||||
set to lattice.
|
|
||||||
|
|
||||||
E: Zero length rotation vector with fix move
|
E: Zero length rotation vector with fix move
|
||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
@ -132,4 +127,9 @@ E: Resetting timestep is not allowed with fix move
|
|||||||
|
|
||||||
This is because fix move is moving atoms based on elapsed time.
|
This is because fix move is moving atoms based on elapsed time.
|
||||||
|
|
||||||
|
U: Use of fix move with undefined lattice
|
||||||
|
|
||||||
|
Must use lattice command with fix move command if units option is
|
||||||
|
set to lattice.
|
||||||
|
|
||||||
*/
|
*/
|
||||||
|
|||||||
@ -55,11 +55,6 @@ E: Could not find fix recenter group ID
|
|||||||
|
|
||||||
A group ID used in the fix recenter command does not exist.
|
A group ID used in the fix recenter command does not exist.
|
||||||
|
|
||||||
E: Use of fix recenter with undefined lattice
|
|
||||||
|
|
||||||
Must use lattice command with fix recenter command if units option is
|
|
||||||
set to lattice.
|
|
||||||
|
|
||||||
E: Fix recenter group has no atoms
|
E: Fix recenter group has no atoms
|
||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
@ -69,4 +64,9 @@ W: Fix recenter should come after all other integration fixes
|
|||||||
Other fixes may change the position of the center-of-mass, so
|
Other fixes may change the position of the center-of-mass, so
|
||||||
fix recenter should come last.
|
fix recenter should come last.
|
||||||
|
|
||||||
|
U: Use of fix recenter with undefined lattice
|
||||||
|
|
||||||
|
Must use lattice command with fix recenter command if units option is
|
||||||
|
set to lattice.
|
||||||
|
|
||||||
*/
|
*/
|
||||||
|
|||||||
@ -52,3 +52,11 @@ class FixStore : public Fix {
|
|||||||
|
|
||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
/* ERROR/WARNING messages:
|
||||||
|
|
||||||
|
E: Illegal ... command
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
|
*/
|
||||||
|
|||||||
@ -86,11 +86,6 @@ E: Cannot use fix wall in periodic dimension
|
|||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
|
|
||||||
E: Use of fix wall with undefined lattice
|
|
||||||
|
|
||||||
Must use lattice command with fix wall command if units option is set
|
|
||||||
to lattice.
|
|
||||||
|
|
||||||
E: Variable name for fix wall does not exist
|
E: Variable name for fix wall does not exist
|
||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
@ -103,4 +98,9 @@ E: Variable evaluation in fix wall gave bad value
|
|||||||
|
|
||||||
The returned value for epsilon or sigma < 0.0.
|
The returned value for epsilon or sigma < 0.0.
|
||||||
|
|
||||||
|
U: Use of fix wall with undefined lattice
|
||||||
|
|
||||||
|
Must use lattice command with fix wall command if units option is set
|
||||||
|
to lattice.
|
||||||
|
|
||||||
*/
|
*/
|
||||||
|
|||||||
@ -67,11 +67,6 @@ E: Cannot use fix wall/reflect zlo/zhi for a 2d simulation
|
|||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
|
|
||||||
E: Use of fix wall with undefined lattice
|
|
||||||
|
|
||||||
Must use lattice command with fix wall command if units option is set
|
|
||||||
to lattice.
|
|
||||||
|
|
||||||
E: Variable name for fix wall/reflect does not exist
|
E: Variable name for fix wall/reflect does not exist
|
||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
@ -84,4 +79,9 @@ W: Should not allow rigid bodies to bounce off relecting walls
|
|||||||
|
|
||||||
LAMMPS allows this, but their dynamics are not computed correctly.
|
LAMMPS allows this, but their dynamics are not computed correctly.
|
||||||
|
|
||||||
|
U: Use of fix wall with undefined lattice
|
||||||
|
|
||||||
|
Must use lattice command with fix wall command if units option is set
|
||||||
|
to lattice.
|
||||||
|
|
||||||
*/
|
*/
|
||||||
|
|||||||
@ -142,11 +142,11 @@ A command with an argument that specifies an integer or range of
|
|||||||
integers is using a value that is less than 1 or greater than the
|
integers is using a value that is less than 1 or greater than the
|
||||||
maximum allowed limit.
|
maximum allowed limit.
|
||||||
|
|
||||||
E: Expected floating point parameter in input script or data file
|
U: Expected floating point parameter in input script or data file
|
||||||
|
|
||||||
The quantity being read is an integer on non-numeric value.
|
The quantity being read is an integer on non-numeric value.
|
||||||
|
|
||||||
E: Expected integer parameter in input script or data file
|
U: Expected integer parameter in input script or data file
|
||||||
|
|
||||||
The quantity being read is a floating point or non-numeric value.
|
The quantity being read is a floating point or non-numeric value.
|
||||||
|
|
||||||
|
|||||||
14
src/input.h
14
src/input.h
@ -135,10 +135,9 @@ E: Unknown command: %s
|
|||||||
|
|
||||||
The command is not known to LAMMPS. Check the input script.
|
The command is not known to LAMMPS. Check the input script.
|
||||||
|
|
||||||
E: Another input script is already being processed
|
E: Invalid use of library file() function
|
||||||
|
|
||||||
Cannot attempt to open a 2nd input script, when the original file is
|
UNDOCUMENTED
|
||||||
still being processed.
|
|
||||||
|
|
||||||
E: Cannot open input script %s
|
E: Cannot open input script %s
|
||||||
|
|
||||||
@ -172,6 +171,10 @@ Self-explanatory. Check the input script syntax and compare to the
|
|||||||
documentation for the command. You can use -echo screen as a
|
documentation for the command. You can use -echo screen as a
|
||||||
command-line option when running LAMMPS to see the offending line.
|
command-line option when running LAMMPS to see the offending line.
|
||||||
|
|
||||||
|
E: Cannot use include command within an if command
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
E: Cannot open logfile %s
|
E: Cannot open logfile %s
|
||||||
|
|
||||||
The LAMMPS log file specified in the input script cannot be opened.
|
The LAMMPS log file specified in the input script cannot be opened.
|
||||||
@ -330,4 +333,9 @@ E: Units command after simulation box is defined
|
|||||||
The units command cannot be used after a read_data, read_restart, or
|
The units command cannot be used after a read_data, read_restart, or
|
||||||
create_box command.
|
create_box command.
|
||||||
|
|
||||||
|
U: Another input script is already being processed
|
||||||
|
|
||||||
|
Cannot attempt to open a 2nd input script, when the original file is
|
||||||
|
still being processed.
|
||||||
|
|
||||||
*/
|
*/
|
||||||
|
|||||||
@ -168,6 +168,10 @@ class KSpace : protected Pointers {
|
|||||||
|
|
||||||
/* ERROR/WARNING messages:
|
/* ERROR/WARNING messages:
|
||||||
|
|
||||||
|
E: KSpace style does not yet support triclinic geometries
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
E: KSpace solver requires a pair style
|
E: KSpace solver requires a pair style
|
||||||
|
|
||||||
No pair style is defined.
|
No pair style is defined.
|
||||||
|
|||||||
@ -247,11 +247,19 @@ This is probably a bogus thing to do, since tail corrections are
|
|||||||
computed by integrating the density of a periodic system out to
|
computed by integrating the density of a periodic system out to
|
||||||
infinity.
|
infinity.
|
||||||
|
|
||||||
|
W: Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
E: All pair coeffs are not set
|
E: All pair coeffs are not set
|
||||||
|
|
||||||
All pair coefficients must be set in the data file or by the
|
All pair coefficients must be set in the data file or by the
|
||||||
pair_coeff command before running a simulation.
|
pair_coeff command before running a simulation.
|
||||||
|
|
||||||
|
E: Pair style requres a KSpace style
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
E: Pair style does not support pair_write
|
E: Pair style does not support pair_write
|
||||||
|
|
||||||
The pair style does not have a single() function, so it can
|
The pair style does not have a single() function, so it can
|
||||||
|
|||||||
@ -184,6 +184,10 @@ E: Must define pair_style before Pair Coeffs
|
|||||||
Must use a pair_style command before reading a data file that defines
|
Must use a pair_style command before reading a data file that defines
|
||||||
Pair Coeffs.
|
Pair Coeffs.
|
||||||
|
|
||||||
|
E: Must define pair_style before PairIJ Coeffs
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
E: Invalid data file section: Bond Coeffs
|
E: Invalid data file section: Bond Coeffs
|
||||||
|
|
||||||
Atom style does not allow bonds.
|
Atom style does not allow bonds.
|
||||||
|
|||||||
10
src/region.h
10
src/region.h
@ -103,13 +103,13 @@ E: Region union or intersect cannot be dynamic
|
|||||||
|
|
||||||
The sub-regions can be dynamic, but not the combined region.
|
The sub-regions can be dynamic, but not the combined region.
|
||||||
|
|
||||||
E: Use of region with undefined lattice
|
|
||||||
|
|
||||||
If units = lattice (the default) for the region command, then a
|
|
||||||
lattice must first be defined via the lattice command.
|
|
||||||
|
|
||||||
E: Region cannot have 0 length rotation vector
|
E: Region cannot have 0 length rotation vector
|
||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
|
|
||||||
|
U: Use of region with undefined lattice
|
||||||
|
|
||||||
|
If units = lattice (the default) for the region command, then a
|
||||||
|
lattice must first be defined via the lattice command.
|
||||||
|
|
||||||
*/
|
*/
|
||||||
|
|||||||
10
src/thermo.h
10
src/thermo.h
@ -278,10 +278,6 @@ E: Thermo_modify int format does not contain d character
|
|||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
|
|
||||||
E: Thermo keyword requires lattice be defined
|
|
||||||
|
|
||||||
The xlat, ylat, zlat keywords refer to lattice properties.
|
|
||||||
|
|
||||||
E: Could not find thermo custom compute ID
|
E: Could not find thermo custom compute ID
|
||||||
|
|
||||||
The compute ID needed by thermo style custom to compute a requested
|
The compute ID needed by thermo style custom to compute a requested
|
||||||
@ -386,7 +382,11 @@ You are using a thermo keyword that requires potentials to
|
|||||||
have tallied energy, but they didn't on this timestep. See the
|
have tallied energy, but they didn't on this timestep. See the
|
||||||
variable doc page for ideas on how to make this work.
|
variable doc page for ideas on how to make this work.
|
||||||
|
|
||||||
E: Thermo keyword in variable requires lattice be defined
|
U: Thermo keyword requires lattice be defined
|
||||||
|
|
||||||
|
The xlat, ylat, zlat keywords refer to lattice properties.
|
||||||
|
|
||||||
|
U: Thermo keyword in variable requires lattice be defined
|
||||||
|
|
||||||
The xlat, ylat, zlat keywords refer to lattice properties.
|
The xlat, ylat, zlat keywords refer to lattice properties.
|
||||||
|
|
||||||
|
|||||||
@ -141,6 +141,10 @@ E: File variable could not read value
|
|||||||
|
|
||||||
Check the file assigned to the variable.
|
Check the file assigned to the variable.
|
||||||
|
|
||||||
|
E: Afile variable could not read values
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
E: Variable name must be alphanumeric or underscore characters
|
E: Variable name must be alphanumeric or underscore characters
|
||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
|
|||||||
@ -93,11 +93,6 @@ E: Atom IDs must be consecutive for velocity create loop all
|
|||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
|
|
||||||
E: Use of velocity with undefined lattice
|
|
||||||
|
|
||||||
If units = lattice (the default) for the velocity set or velocity ramp
|
|
||||||
command, then a lattice must first be defined via the lattice command.
|
|
||||||
|
|
||||||
E: Variable name for velocity set does not exist
|
E: Variable name for velocity set does not exist
|
||||||
|
|
||||||
Self-explanatory.
|
Self-explanatory.
|
||||||
@ -137,4 +132,9 @@ E: Velocity temperature ID does not compute temperature
|
|||||||
The compute ID given to the velocity command must compute
|
The compute ID given to the velocity command must compute
|
||||||
temperature.
|
temperature.
|
||||||
|
|
||||||
|
U: Use of velocity with undefined lattice
|
||||||
|
|
||||||
|
If units = lattice (the default) for the velocity set or velocity ramp
|
||||||
|
command, then a lattice must first be defined via the lattice command.
|
||||||
|
|
||||||
*/
|
*/
|
||||||
|
|||||||
@ -53,3 +53,23 @@ class WriteData : protected Pointers {
|
|||||||
|
|
||||||
#endif
|
#endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
/* ERROR/WARNING messages:
|
||||||
|
|
||||||
|
E: Write_data command before simulation box is defined
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
|
E: Illegal ... command
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
|
E: Atom count is inconsistent, cannot write data file
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
|
E: Cannot open data file %s
|
||||||
|
|
||||||
|
UNDOCUMENTED
|
||||||
|
|
||||||
|
*/
|
||||||
|
|||||||
Reference in New Issue
Block a user