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fix whitespace issues

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This commit is contained in:
Axel Kohlmeyer
2020-01-14 13:24:40 -05:00
parent 531946a35f
commit cae994dea9
2 changed files with 7 additions and 7 deletions
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12
src/REPLICA/fix_hyper_local.cpp
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@ -760,7 +760,7 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */)
// min value must always be >= 0.0 // min value must always be >= 0.0
biascoeff[m] = MAX(biascoeff[m],0.0); biascoeff[m] = MAX(biascoeff[m],0.0);
if (boundflag) { if (boundflag) {
biascoeff[m] = MAX(biascoeff[m],bound_lower); biascoeff[m] = MAX(biascoeff[m],bound_lower);
biascoeff[m] = MIN(biascoeff[m],bound_upper); biascoeff[m] = MIN(biascoeff[m],bound_upper);
} }
@ -911,7 +911,7 @@ void FixHyperLocal::build_bond_list(int natom)
for (m = 0; m < nblocal; m++) biascoeff[m] *= vmaxold/vmax; for (m = 0; m < nblocal; m++) biascoeff[m] *= vmaxold/vmax;
// enforce bounds for new Cij // enforce bounds for new Cij
if (boundflag) { if (boundflag) {
for (m = 0; m < nblocal; m++) { for (m = 0; m < nblocal; m++) {
biascoeff[m] = MAX(biascoeff[m],bound_lower); biascoeff[m] = MAX(biascoeff[m],bound_lower);
@ -1560,10 +1560,10 @@ double FixHyperLocal::compute_vector(int i)
// during minimization, just output previous value // during minimization, just output previous value
if (i == 9) { if (i == 9) {
if (update->ntimestep == update->firststep) if (update->ntimestep == update->firststep)
aveboost_running_output = 0.0; aveboost_running_output = 0.0;
else if (update->whichflag == 1) else if (update->whichflag == 1)
aveboost_running_output = aveboost_running_output =
aveboost_running / (update->ntimestep - update->firststep); aveboost_running / (update->ntimestep - update->firststep);
return aveboost_running_output; return aveboost_running_output;
} }
@ -1604,7 +1604,7 @@ double FixHyperLocal::compute_vector(int i)
if (update->ntimestep == update->firststep) if (update->ntimestep == update->firststep)
avebiascoeff_running_output = 0.0; avebiascoeff_running_output = 0.0;
else if (update->whichflag == 1) else if (update->whichflag == 1)
avebiascoeff_running_output = avebiascoeff_running_output =
avebiascoeff_running / (update->ntimestep - update->firststep); avebiascoeff_running / (update->ntimestep - update->firststep);
return avebiascoeff_running_output; return avebiascoeff_running_output;
} }

2
src/REPLICA/hyper.cpp
View File

@ -306,7 +306,7 @@ void Hyper::command(int narg, char **arg)
fprintf(out,"Cummulative quantities for fix hyper:\n"); fprintf(out,"Cummulative quantities for fix hyper:\n");
fprintf(out," hyper time = %g\n",t_hyper); fprintf(out," hyper time = %g\n",t_hyper);
if (hyperenable) if (hyperenable)
fprintf(out," time boost factor = %g\n", t_hyper / fprintf(out," time boost factor = %g\n", t_hyper /
((update->ntimestep-fix_hyper->ntimestep_initial)*update->dt)); ((update->ntimestep-fix_hyper->ntimestep_initial)*update->dt));
else fprintf(out," time boost factor = 1\n"); else fprintf(out," time boost factor = 1\n");
fprintf(out," event timesteps = %d\n",nevent_running); fprintf(out," event timesteps = %d\n",nevent_running);