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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8901 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-10-03 19:44:59 +00:00
parent cf26f5cd13
commit c46a055241
1 changed files with 10 additions and 4 deletions
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14
src/pair_hybrid.cpp
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@ -265,16 +265,22 @@ void PairHybrid::settings(int narg, char **arg)
// respa_enable = 1 if any sub-style is set
// no_virial_fdotr_compute = 1 if any sub-style is set
// ghostneigh = 1 if any sub-style is set
// ewaldflag, pppmflag, msmflag,
// dispersionflag, tip4pflag, proxyflag = 1 if any sub-style is set
single_enable = 0;
for (m = 0; m < nstyles; m++)
for (m = 0; m < nstyles; m++) {
if (styles[m]->single_enable) single_enable = 1;
for (m = 0; m < nstyles; m++)
if (styles[m]->respa_enable) respa_enable = 1;
for (m = 0; m < nstyles; m++)
if (styles[m]->no_virial_fdotr_compute) no_virial_fdotr_compute = 1;
for (m = 0; m < nstyles; m++)
if (styles[m]->ghostneigh) ghostneigh = 1;
if (styles[m]->ewaldflag) ewaldflag = 1;
if (styles[m]->pppmflag) pppmflag = 1;
if (styles[m]->msmflag) msmflag = 1;
if (styles[m]->dispersionflag) dispersionflag = 1;
if (styles[m]->tip4pflag) tip4pflag = 1;
if (styles[m]->proxyflag) proxyflag = 1;
}
// single_extra = min of all sub-style single_extra
// allocate svector