# | Line 400 | Line 400 | class SimInfo { | |
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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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