| 1116 |
|
|
| 1117 |
|
#else |
| 1118 |
|
|
| 1119 |
– |
|
| 1120 |
– |
// cerr << "atoms = " << atom1 << " " << atom2 << "\n"; |
| 1121 |
– |
// cerr << "pos1 = " << snap_->atomData.position[atom1] << "\n"; |
| 1122 |
– |
// cerr << "pos2 = " << snap_->atomData.position[atom2] << "\n"; |
| 1123 |
– |
|
| 1119 |
|
idat.atypes = make_pair( atypesLocal[atom1], atypesLocal[atom2]); |
| 1125 |
– |
//idat.atypes = make_pair( ff_->getAtomType(idents[atom1]), |
| 1126 |
– |
// ff_->getAtomType(idents[atom2]) ); |
| 1120 |
|
|
| 1121 |
|
if (storageLayout_ & DataStorage::dslAmat) { |
| 1122 |
|
idat.A1 = &(snap_->atomData.aMat[atom1]); |
