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This commit is contained in:
Stan Gerald Moore
2023-10-19 07:44:44 -06:00
committed by Axel Kohlmeyer
parent 9e45df19c1
commit fc7119982b
1 changed files with 3 additions and 2 deletions
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5
src/BOCS/fix_bocs.cpp
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@ -1025,8 +1025,8 @@ void FixBocs::final_integrate()
if (pstat_flag) {
if (pstyle == ISO) pressure->compute_scalar();
else {
temperature->compute_vector();
pressure->compute_vector();
temperature->compute_vector();
pressure->compute_vector();
}
couple();
pressure->addstep(update->ntimestep+1);
@ -1965,6 +1965,7 @@ void FixBocs::nhc_press_integrate()
double expfac,factor_etap,kecurrent;
double kt = boltz * t_target;
double lkt_press;
// Update masses, to preserve initial freq, if flag set
if (omega_mass_flag) {