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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5114 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-10-22 22:28:02 +00:00
parent 3ba736e196
commit 5f9d2ec85e
1 changed files with 5 additions and 7 deletions
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12
src/compute_pe.cpp
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@ -37,6 +37,11 @@ ComputePE::ComputePE(LAMMPS *lmp, int narg, char **arg) :
if (narg < 3) error->all("Illegal compute pe command");
if (igroup) error->all("Compute pe must use group all");
scalar_flag = 1;
extscalar = 1;
peflag = 1;
timeflag = 1;
if (narg == 3) {
pairflag = 1;
bondflag = angleflag = dihedralflag = improperflag = 1;
@ -59,13 +64,6 @@ ComputePE::ComputePE(LAMMPS *lmp, int narg, char **arg) :
iarg++;
}
}
// settings
scalar_flag = 1;
extscalar = 1;
peflag = 1;
timeflag = 1;
}
/* ---------------------------------------------------------------------- */