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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9572 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-03-05 00:13:42 +00:00
parent 30370bb2aa
commit 1fe23b3041
2 changed files with 8 additions and 14 deletions
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4
src/MC/fix_gcmc.h
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@ -205,8 +205,4 @@ E: Fix gcmc incorrect number of atoms per molecule
The number of atoms in each gas molecule was not computed correctly.
E: Region ID for fix gcmc does not exist
Self-explanatory.
*/

18
src/domain.h
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@ -183,18 +183,16 @@ bond has blown apart and an atom is too far away.
W: Inconsistent image flags
The image flags for a pair on bonded atoms appear to be inconsistent.
Inconstent means that when the coordinates of the two atoms
are unwrapped using the image flags, the two atoms are far apart.
Inconsistent means that when the coordinates of the two atoms are
unwrapped using the image flags, the two atoms are far apart.
Specifically they are further apart than half a periodic box length.
Or they are more than a box length apart in a non-periodic dimension.
This is usually due to the initial data file not having correct
image flags for the 2 atoms in a bond that straddles a periodic
boundary. They should be different by 1 in that case.
This is a warning because inconsistent image flags will not cause
problems for dynamics or most LAMMPS simulations. However they can
cause problems when such atoms are used with the fix rigid or
replicate commands.
This is usually due to the initial data file not having correct image
flags for the 2 atoms in a bond that straddles a periodic boundary.
They should be different by 1 in that case. This is a warning because
inconsistent image flags will not cause problems for dynamics or most
LAMMPS simulations. However they can cause problems when such atoms
are used with the fix rigid or replicate commands.
E: Bond atom missing in box size check