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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-10-21 18:29:37 +00:00
parent ddfb996d8e
commit 9a878cdd67
53 changed files with 289 additions and 181 deletions
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4
src/MC/fix_gcmc.cpp
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@ -1308,7 +1308,7 @@ void FixGCMC::attempt_molecule_insertion()
fixshake->set_molecule(nlocalprev,maxtag_all,imol,com_coord,vnew,quat);
atom->natoms += natoms_per_molecule;
if (atom->natoms < 0 || atom->natoms > MAXBIGINT)
if (atom->natoms < 0)
error->all(FLERR,"Too many total atoms");
atom->nbonds += onemols[imol]->nbonds;
atom->nangles += onemols[imol]->nangles;
@ -1957,7 +1957,7 @@ void FixGCMC::attempt_molecule_insertion_full()
fixshake->set_molecule(nlocalprev,maxtag_all,imol,com_coord,vnew,quat);
atom->natoms += natoms_per_molecule;
if (atom->natoms < 0 || atom->natoms > MAXBIGINT)
if (atom->natoms < 0)
error->all(FLERR,"Too many total atoms");
atom->nbonds += onemols[imol]->nbonds;
atom->nangles += onemols[imol]->nangles;