forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5114 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -37,6 +37,11 @@ ComputePE::ComputePE(LAMMPS *lmp, int narg, char **arg) :
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if (narg < 3) error->all("Illegal compute pe command");
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if (igroup) error->all("Compute pe must use group all");
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scalar_flag = 1;
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extscalar = 1;
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peflag = 1;
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timeflag = 1;
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if (narg == 3) {
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pairflag = 1;
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bondflag = angleflag = dihedralflag = improperflag = 1;
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@ -59,13 +64,6 @@ ComputePE::ComputePE(LAMMPS *lmp, int narg, char **arg) :
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iarg++;
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}
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}
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// settings
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scalar_flag = 1;
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extscalar = 1;
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peflag = 1;
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timeflag = 1;
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}
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/* ---------------------------------------------------------------------- */
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