whitespace cleanup
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@ -197,7 +197,7 @@ FixGCMC::FixGCMC(LAMMPS *lmp, int narg, char **arg) :
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// setup of array of coordinates for molecule insertion
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// also used by rotation moves for any molecule
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if (exchmode == EXCHATOM) natoms_per_molecule = 1;
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else natoms_per_molecule = onemols[imol]->natoms;
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nmaxmolatoms = natoms_per_molecule;
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@ -469,7 +469,7 @@ void FixGCMC::init()
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pmoltrans /= pmctot;
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pmolrotate /= pmctot;
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}
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// decide whether to switch to the full_energy option
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if (!full_flag) {
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@ -689,7 +689,7 @@ void FixGCMC::init()
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if (groupbit & 1)
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error->warning(FLERR, "Fix gcmc is being applied "
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"to the default group all");
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// construct group bitmask for all new atoms
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// aggregated over all group keywords
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@ -1168,7 +1168,7 @@ void FixGCMC::attempt_molecule_rotation()
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if (nmolcoords > nmaxmolatoms)
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grow_molecule_arrays(nmolcoords);
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double com[3];
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com[0] = com[1] = com[2] = 0.0;
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group->xcm(molecule_group,gas_mass,com);
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@ -1829,7 +1829,7 @@ void FixGCMC::attempt_molecule_rotation_full()
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if (nmolcoords > nmaxmolatoms)
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grow_molecule_arrays(nmolcoords);
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double com[3];
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com[0] = com[1] = com[2] = 0.0;
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group->xcm(molecule_group,gas_mass,com);
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@ -1853,7 +1853,7 @@ void FixGCMC::attempt_molecule_rotation_full()
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double **x = atom->x;
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imageint *image = atom->image;
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int n = 0;
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for (int i = 0; i < atom->nlocal; i++) {
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if (mask[i] & molecule_group_bit) {
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@ -1921,10 +1921,10 @@ void FixGCMC::attempt_molecule_deletion_full()
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for (int i = 0; i < atom->nlocal; i++)
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if (atom->molecule[i] == deletion_molecule)
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if (atom->q_flag) nmolq++;
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if (nmolq > nmaxmolatoms)
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grow_molecule_arrays(nmolq);
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int m = 0;
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int tmpmask[atom->nlocal];
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for (int i = 0; i < atom->nlocal; i++) {
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