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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4690 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-09-06 16:19:47 +00:00
parent de59192f5e
commit 8f02ff3b29
13 changed files with 71 additions and 60 deletions
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4
src/fix_box_relax.cpp
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@ -219,7 +219,7 @@ FixBoxRelax::FixBoxRelax(LAMMPS *lmp, int narg, char **arg) :
if (pcouple == XYZ && dimension == 3 &&
(p_target[0] != p_target[1] || p_target[0] != p_target[2]))
error->all("Invalid fix nvt/npt/nph pressure settings");
error->all("Invalid fix box/relax pressure settings");
if (pcouple == XYZ && dimension == 2 && p_target[0] != p_target[1])
error->all("Invalid fix box/relax pressure settings");
if (pcouple == XY && p_target[0] != p_target[1])
@ -611,7 +611,7 @@ void FixBoxRelax::remap()
domain->boxlo[i] = currentBoxLo0 + (currentBoxLo0-ctr)*ds[i]/s0[i];
domain->boxhi[i] = currentBoxHi0 + (currentBoxHi0-ctr)*ds[i]/s0[i];
if (domain->boxlo[i] >= domain->boxhi[i])
error->all("fix box/relax generated negative dimension");
error->all("Fix box/relax generated negative box length");
}
if (pstyle == TRICLINIC) {