| # | Line 63 | Line 63 | SimInfo::SimInfo(){ | |
|---|---|---|
| 63 | useReactionField = 0; | |
| 64 | useGB = 0; | |
| 65 | useEAM = 0; | |
| 66 | + | useMolecularCutoffs = 0; |
| 67 | ||
| 68 | excludes = Exclude::Instance(); | |
| 69 | ||
| # | Line 436 | Line 437 | void SimInfo::refreshSim(){ | |
| 437 | //fInfo.SIM_uses_RF = 0; | |
| 438 | fInfo.SIM_uses_GB = useGB; | |
| 439 | fInfo.SIM_uses_EAM = useEAM; | |
| 440 | + | fInfo.SIM_uses_molecular_cutoffs = useMolecularCutoffs; |
| 441 | ||
| 442 | n_exclude = excludes->getSize(); | |
| 443 | excl = excludes->getFortranArray(); | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |