| # | Line 157 | Line 157 | int main(int argc, char *argv []) { | |
|---|---|---|
| 157 | ||
| 158 | // Calculate lattice constant (in Angstroms) | |
| 159 | ||
| 160 | < | RealType avgMass = getMolMass(oldInfo->getMoleculeStamp(0), |
| 161 | < | oldInfo->getForceField()); |
| 160 | > | RealType avgMass = MoLocator::getMolMass(oldInfo->getMoleculeStamp(0), |
| 161 | > | oldInfo->getForceField()); |
| 162 | ||
| 163 | latticeConstant = pow(rhoConvertConst * nMolPerCell * avgMass / density, | |
| 164 | (RealType)(1.0 / 3.0)); | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |