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Added Axel's improvement 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15067 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps 2016-05-26 17:27:15 +00:00
parent edbb8bc31d
commit 71c36003b9
1 changed files with 3 additions and 5 deletions
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8
src/MC/fix_gcmc.cpp
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@ -472,12 +472,10 @@ void FixGCMC::init()
// check for fix rigid
int irigid;
for (irigid = 0; irigid < modify->nfix; irigid++) {
if (strcmp(modify->fix[irigid]->style,"rigid") == 0) break;
else if (strcmp(modify->fix[irigid]->style,"rigid/small") == 0) break;
for (int irigid = 0; irigid < modify->nfix; irigid++) {
if (strncmp(modify->fix[irigid]->style,"rigid",5) == 0)
error->all(FLERR,"Fix gcmc can not currently be used with any rigid fix");
}
if (irigid < modify->nfix) error->all(FLERR,"Fix gcmc can not currently be used with fix rigid or fix rigid/small");
if (domain->dimension == 2)
error->all(FLERR,"Cannot use fix gcmc in a 2d simulation");