ICODE-ADC/lammps
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whitespace cleanup

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This commit is contained in:
Axel Kohlmeyer
2020-07-17 15:02:53 -04:00
parent 117499e847
commit 0e6531e2b6
1 changed files with 8 additions and 8 deletions
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16
src/MC/fix_widom.cpp
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@ -61,7 +61,7 @@ enum{EXCHATOM,EXCHMOL}; // exchmode
FixWidom::FixWidom(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg),
idregion(NULL), full_flag(0),
idregion(NULL), full_flag(0),
local_gas_list(NULL), molcoords(NULL), molq(NULL), molimage(NULL),
random_equal(NULL)
{
@ -483,13 +483,13 @@ void FixWidom::pre_exchange()
if (full_flag) {
energy_stored = energy_full();
if (exchmode == EXCHATOM) {
attempt_atomic_insertion_full();
} else {
attempt_molecule_insertion_full();
}
if (triclinic) domain->x2lamda(atom->nlocal);
domain->pbc();
comm->exchange();
@ -504,7 +504,7 @@ void FixWidom::pre_exchange()
} else {
attempt_molecule_insertion();
}
}
next_reneighbor = update->ntimestep + nevery;
}
@ -706,7 +706,7 @@ void FixWidom::attempt_molecule_insertion()
double incr_chem_pot = (inst_chem_pot - ave_widom_chemical_potential);
ave_widom_chemical_potential += incr_chem_pot / (imove + 1);
delete[] procflag;
}
@ -806,7 +806,7 @@ void FixWidom::attempt_atomic_insertion_full()
if (proc_flag) atom->nlocal--;
if (force->kspace) force->kspace->qsum_qsq();
if (force->pair->tail_flag) force->pair->reinit();
update_gas_atoms_list();
}
@ -968,7 +968,7 @@ void FixWidom::attempt_molecule_insertion_full()
atom->ndihedrals -= onemols[imol]->ndihedrals;
atom->nimpropers -= onemols[imol]->nimpropers;
atom->natoms -= natoms_per_molecule;
int i = 0;
while (i < atom->nlocal) {
if (atom->molecule[i] == insertion_molecule) {
@ -978,7 +978,7 @@ void FixWidom::attempt_molecule_insertion_full()
}
if (force->kspace) force->kspace->qsum_qsq();
if (force->pair->tail_flag) force->pair->reinit();
update_gas_atoms_list();
}