| # | Line 400 | Line 400 | class SimInfo { | |
|---|---|---|
| 400 | void removeExcludePairs(Molecule* mol); | |
| 401 | ||
| 402 | ||
| 403 | – | SelectionManager* getSelectionManager() { |
| 404 | – | return selectMan_; |
| 405 | – | } |
| 406 | – | |
| 403 | /** Returns the unique atom types of local processor in an array */ | |
| 404 | std::set<AtomType*> getUniqueAtomTypes(); | |
| 405 | ||
| # | Line 504 | Line 500 | class SimInfo { | |
| 500 | ||
| 501 | bool fortranInitialized_; /**< flag indicate whether fortran side is initialized */ | |
| 502 | ||
| 507 | – | SelectionManager* selectMan_; |
| 503 | #ifdef IS_MPI | |
| 504 | //in Parallel version, we need MolToProc | |
| 505 | public: | |
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