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Updated compute hexorder/atom, added compute orientorder/atom

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14252 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps
2015-11-16 17:45:59 +00:00
parent 70aba85d31
commit 9dc8102ac4
7 changed files with 19 additions and 15 deletions
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2
src/compute_hexorder_atom.cpp
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@ -56,7 +56,7 @@ ComputeHexOrderAtom::ComputeHexOrderAtom(LAMMPS *lmp, int narg, char **arg) :
int iarg = 3;
while (iarg < narg) {
if (strcmp(arg[iarg],"n") == 0) {
if (strcmp(arg[iarg],"degree") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal compute hexorder/atom command");
ndegree = force->numeric(FLERR,arg[iarg+1]);
if (ndegree < 0)