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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8536 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-08-06 22:11:04 +00:00
parent ac3572a0c9
commit b361264715
1 changed files with 4 additions and 4 deletions
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8
src/fix_nh.cpp
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@ -248,9 +248,9 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
else {
allremap = 0;
delete [] id_dilate;
int n = strlen(arg[iarg+2]) + 1;
int n = strlen(arg[iarg+1]) + 1;
id_dilate = new char[n];
strcpy(id_dilate,arg[iarg+2]);
strcpy(id_dilate,arg[iarg+1]);
int idilate = group->find(id_dilate);
if (idilate == -1)
error->all(FLERR,"Fix nvt/npt/nph dilate group ID does not exist");
@ -435,7 +435,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
else if (pcouple == XYZ || (dimension == 2 && pcouple == XY)) pstyle = ISO;
else pstyle = ANISO;
// reneighboring only forced if flips will occur due to shape changes
// reneighboring only forced if flips can occur due to shape changes
if (p_flag[3] || p_flag[4] || p_flag[5]) force_reneighbor = 1;
if (domain->yz != 0.0 || domain->xz != 0.0 || domain->xy != 0.0)
@ -2179,7 +2179,7 @@ void FixNH::nh_omega_dot()
}
/* ----------------------------------------------------------------------
if any tilt ratios exceed 0.5, set flip = 1 and compute new tilt values
if any tilt ratios exceed limits, set flip = 1 and compute new tilt values
do not flip in x or y if non-periodic (can tilt but not flip)
this is b/c the box length would be changed (dramatically) by flip
if yz tilt exceeded, adjust C vector by one B vector