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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-02-13 15:33:29 +00:00
parent e883c3c2fa
commit 1217612ab6
143 changed files with 616 additions and 600 deletions
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106
src/change_box.h
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@ -61,7 +61,7 @@ class ChangeBox : protected Pointers {
E: Change_box command before simulation box is defined
UNDOCUMENTED
Self-explanatory.
E: Illegal ... command
@ -71,91 +71,59 @@ command-line option when running LAMMPS to see the offending line.
E: Cannot change_box after reading restart file with per-atom info
UNDOCUMENTED
E: Could not find change_box group ID
UNDOCUMENTED
E: Cannot change_box in z dimension for 2d simulation
UNDOCUMENTED
E: Change_box volume used incorrectly
UNDOCUMENTED
E: Cannot change_box in xz or yz for 2d simulation
UNDOCUMENTED
E: Use of change_box with undefined lattice
UNDOCUMENTED
E: Cannot change box tilt factors for orthogonal box
UNDOCUMENTED
E: Cannot run 2d simulation with nonperiodic Z dimension
UNDOCUMENTED
E: Cannot change box to orthogonal when tilt is non-zero
UNDOCUMENTED
E: Cannot change box ortho/triclinic with dumps defined
UNDOCUMENTED
E: Cannot change box ortho/triclinic with certain fixes defined
UNDOCUMENTED
W: Lost atoms via change_box: original %ld current %ld
UNDOCUMENTED
U: Displace_box command before simulation box is defined
Self-explanatory.
U: Cannot displace_box after reading restart file with per-atom info
This is because the restart file info cannot be migrated with the
atoms. You can get around this by performing a 0-timestep run which
will assign the restart file info to actual atoms.
U: Could not find displace_box group ID
E: Could not find change_box group ID
Group ID used in the displace_box command does not exist.
Group ID used in the change_box command does not exist.
U: Displace_box tilt factors require triclinic box
Cannot use tilt factors unless the simulation box is
non-orthogonal.
U: Cannot displace_box on a non-periodic boundary
E: Cannot change_box in z dimension for 2d simulation
Self-explanatory.
U: Use of displace_box with undefined lattice
E: Change_box volume used incorrectly
The "dim volume" option must be used immediately following one or two
settings for "dim1 ..." (and optionally "dim2 ...") and must be for a
different dimension, i.e. dim != dim1 and dim != dim2.
E: Cannot change_box in xz or yz for 2d simulation
Self-explanatory.
E: Use of change_box with undefined lattice
Must use lattice command with displace_box command if units option is
set to lattice.
U: Fix deform volume setting is invalid
E: Cannot change box tilt factors for orthogonal box
Cannot use volume style unless other dimensions are being controlled.
Cannot use tilt factors unless the simulation box is non-orthogonal.
U: Induced tilt by displace_box is too large
E: Cannot change box z boundary to nonperiodic for a 2d simulation
The final tilt value must be between -1/2 and 1/2 of the perpendicular
box length.
Self-explanatory.
U: Lost atoms via displace_box: original %ld current %ld
E: Cannot change box to orthogonal when tilt is non-zero
UNDOCUMENTED
Self-explanatory.
E: Cannot change box ortho/triclinic with dumps defined
This is because some dumps store the shape of the box. You need to
use undump to discard the dump, change the box, then redefine a new
dump.
E: Cannot change box ortho/triclinic with certain fixes defined
This is because those fixes store the shape of the box. You need to
use unfix to discard the fix, change the box, then redefine a new
fix.
W: Lost atoms via change_box: original %ld current %ld
The command options you have used caused atoms to be lost.
*/