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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2015-08-28 20:00:56 +00:00
parent 962dd0da74
commit ce59e32d1c
189 changed files with 1526 additions and 587 deletions
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8
src/USER-FEP/compute_fep.cpp
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@ -305,11 +305,11 @@ void ComputeFEP::compute_vector()
timer->stamp();
if (force->pair && force->pair->compute_flag) {
force->pair->compute(eflag,vflag);
timer->stamp(TIME_PAIR);
timer->stamp(Timer::PAIR);
}
if (chgflag && force->kspace && force->kspace->compute_flag) {
force->kspace->compute(eflag,vflag);
timer->stamp(TIME_KSPACE);
timer->stamp(Timer::KSPACE);
}
// accumulate force/energy/virial from /gpu pair styles
@ -322,11 +322,11 @@ void ComputeFEP::compute_vector()
timer->stamp();
if (force->pair && force->pair->compute_flag) {
force->pair->compute(eflag,vflag);
timer->stamp(TIME_PAIR);
timer->stamp(Timer::PAIR);
}
if (chgflag && force->kspace && force->kspace->compute_flag) {
force->kspace->compute(eflag,vflag);
timer->stamp(TIME_KSPACE);
timer->stamp(Timer::KSPACE);
}
// accumulate force/energy/virial from /gpu pair styles