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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11345 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-27 20:53:04 +00:00
parent 87e52e2a56
commit 7e5b15bb90
1 changed files with 6 additions and 0 deletions
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6
src/USER-OMP/fix_omp.cpp
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@ -186,6 +186,12 @@ int FixOMP::setmask()
void FixOMP::init() void FixOMP::init()
{ {
// USER-OMP package cannot be used with atom_style template
if (atom->molecular == 2)
error->all(FLERR,"USER-OMP package does not (yet) work with "
"atom_style template");
if ((strstr(update->integrate_style,"respa") != NULL) if ((strstr(update->integrate_style,"respa") != NULL)
&& (strstr(update->integrate_style,"respa/omp") == NULL)) && (strstr(update->integrate_style,"respa/omp") == NULL))
error->all(FLERR,"Need to use respa/omp for r-RESPA with /omp styles"); error->all(FLERR,"Need to use respa/omp for r-RESPA with /omp styles");