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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7743 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-02-09 21:03:50 +00:00
parent d850025578
commit 4a72d0fe71
29 changed files with 363 additions and 64 deletions
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72
src/change_box.h
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@ -59,9 +59,9 @@ class ChangeBox : protected Pointers {
/* ERROR/WARNING messages:
E: Displace_box command before simulation box is defined
E: Change_box command before simulation box is defined
Self-explanatory.
UNDOCUMENTED
E: Illegal ... command
@ -69,40 +69,92 @@ Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Cannot displace_box after reading restart file with per-atom info
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.
E: Could not find displace_box group ID
U: Could not find displace_box group ID
Group ID used in the displace_box command does not exist.
E: Displace_box tilt factors require triclinic box
U: Displace_box tilt factors require triclinic box
Cannot use tilt factors unless the simulation box is
non-orthogonal.
E: Cannot displace_box on a non-periodic boundary
U: Cannot displace_box on a non-periodic boundary
Self-explanatory.
E: Use of displace_box with undefined lattice
U: Use of displace_box with undefined lattice
Must use lattice command with displace_box command if units option is
set to lattice.
E: Fix deform volume setting is invalid
U: Fix deform volume setting is invalid
Cannot use volume style unless other dimensions are being controlled.
E: Induced tilt by displace_box is too large
U: Induced tilt by displace_box is too large
The final tilt value must be between -1/2 and 1/2 of the perpendicular
box length.
E: Lost atoms via displace_box: original %ld current %ld
U: Lost atoms via displace_box: original %ld current %ld
UNDOCUMENTED