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whitespace cleanup

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This commit is contained in:
Axel Kohlmeyer
2018-03-13 23:02:55 -04:00
parent 6965307250
commit d00908ea3e
1 changed files with 8 additions and 8 deletions
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16
src/MC/fix_gcmc.cpp
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@ -197,7 +197,7 @@ FixGCMC::FixGCMC(LAMMPS *lmp, int narg, char **arg) :
// setup of array of coordinates for molecule insertion // setup of array of coordinates for molecule insertion
// also used by rotation moves for any molecule // also used by rotation moves for any molecule
if (exchmode == EXCHATOM) natoms_per_molecule = 1; if (exchmode == EXCHATOM) natoms_per_molecule = 1;
else natoms_per_molecule = onemols[imol]->natoms; else natoms_per_molecule = onemols[imol]->natoms;
nmaxmolatoms = natoms_per_molecule; nmaxmolatoms = natoms_per_molecule;
@ -469,7 +469,7 @@ void FixGCMC::init()
pmoltrans /= pmctot; pmoltrans /= pmctot;
pmolrotate /= pmctot; pmolrotate /= pmctot;
} }
// decide whether to switch to the full_energy option // decide whether to switch to the full_energy option
if (!full_flag) { if (!full_flag) {
@ -689,7 +689,7 @@ void FixGCMC::init()
if (groupbit & 1) if (groupbit & 1)
error->warning(FLERR, "Fix gcmc is being applied " error->warning(FLERR, "Fix gcmc is being applied "
"to the default group all"); "to the default group all");
// construct group bitmask for all new atoms // construct group bitmask for all new atoms
// aggregated over all group keywords // aggregated over all group keywords
@ -1168,7 +1168,7 @@ void FixGCMC::attempt_molecule_rotation()
if (nmolcoords > nmaxmolatoms) if (nmolcoords > nmaxmolatoms)
grow_molecule_arrays(nmolcoords); grow_molecule_arrays(nmolcoords);
double com[3]; double com[3];
com[0] = com[1] = com[2] = 0.0; com[0] = com[1] = com[2] = 0.0;
group->xcm(molecule_group,gas_mass,com); group->xcm(molecule_group,gas_mass,com);
@ -1829,7 +1829,7 @@ void FixGCMC::attempt_molecule_rotation_full()
if (nmolcoords > nmaxmolatoms) if (nmolcoords > nmaxmolatoms)
grow_molecule_arrays(nmolcoords); grow_molecule_arrays(nmolcoords);
double com[3]; double com[3];
com[0] = com[1] = com[2] = 0.0; com[0] = com[1] = com[2] = 0.0;
group->xcm(molecule_group,gas_mass,com); group->xcm(molecule_group,gas_mass,com);
@ -1853,7 +1853,7 @@ void FixGCMC::attempt_molecule_rotation_full()
double **x = atom->x; double **x = atom->x;
imageint *image = atom->image; imageint *image = atom->image;
int n = 0; int n = 0;
for (int i = 0; i < atom->nlocal; i++) { for (int i = 0; i < atom->nlocal; i++) {
if (mask[i] & molecule_group_bit) { if (mask[i] & molecule_group_bit) {
@ -1921,10 +1921,10 @@ void FixGCMC::attempt_molecule_deletion_full()
for (int i = 0; i < atom->nlocal; i++) for (int i = 0; i < atom->nlocal; i++)
if (atom->molecule[i] == deletion_molecule) if (atom->molecule[i] == deletion_molecule)
if (atom->q_flag) nmolq++; if (atom->q_flag) nmolq++;
if (nmolq > nmaxmolatoms) if (nmolq > nmaxmolatoms)
grow_molecule_arrays(nmolq); grow_molecule_arrays(nmolq);
int m = 0; int m = 0;
int tmpmask[atom->nlocal]; int tmpmask[atom->nlocal];
for (int i = 0; i < atom->nlocal; i++) { for (int i = 0; i < atom->nlocal; i++) {