| # | Line 62 | Line 62 | SimInfo::SimInfo(){ | |
|---|---|---|
| 62 | useReactionField = 0; | |
| 63 | useGB = 0; | |
| 64 | useEAM = 0; | |
| 65 | < | useThermInt = 0; |
| 65 | > | useSolidThermInt = 0; |
| 66 | > | useLiquidThermInt = 0; |
| 67 | ||
| 68 | haveCutoffGroups = false; | |
| 69 | ||
| # | Line 445 | Line 446 | void SimInfo::refreshSim(){ | |
| 446 | excl = excludes->getFortranArray(); | |
| 447 | ||
| 448 | #ifdef IS_MPI | |
| 449 | < | n_global = mpiSim->getTotAtoms(); |
| 449 | > | n_global = mpiSim->getNAtomsGlobal(); |
| 450 | #else | |
| 451 | n_global = n_atoms; | |
| 452 | #endif | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |