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Changes to lower ammount of memory required to run calculations with multicolvar
Partial task lists are now reallocated at the start of each step. In addition, only active colvars are stored in storeDataVessels
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- src/adjmat/AdjacencyMatrixVessel.cpp 3 additions, 3 deletionssrc/adjmat/AdjacencyMatrixVessel.cpp
- src/manyrestraints/ManyRestraintsBase.cpp 2 additions, 0 deletionssrc/manyrestraints/ManyRestraintsBase.cpp
- src/mapping/PathBase.cpp 4 additions, 0 deletionssrc/mapping/PathBase.cpp
- src/secondarystructure/SecondaryStructureRMSD.cpp 5 additions, 4 deletionssrc/secondarystructure/SecondaryStructureRMSD.cpp
- src/secondarystructure/SecondaryStructureRMSD.h 0 additions, 2 deletionssrc/secondarystructure/SecondaryStructureRMSD.h
- src/vesselbase/ActionWithVessel.cpp 19 additions, 7 deletionssrc/vesselbase/ActionWithVessel.cpp
- src/vesselbase/BridgeVessel.cpp 6 additions, 0 deletionssrc/vesselbase/BridgeVessel.cpp
- src/vesselbase/BridgeVessel.h 2 additions, 0 deletionssrc/vesselbase/BridgeVessel.h
- src/vesselbase/OrderingVessel.cpp 4 additions, 4 deletionssrc/vesselbase/OrderingVessel.cpp
- src/vesselbase/StoreDataVessel.h 1 addition, 1 deletionsrc/vesselbase/StoreDataVessel.h
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