-
- Downloads
There was an error fetching the commit references. Please try again later.
Made link cells work properly for Q6+LQ6+Volumes
This makes the combination of Q6+LQ6+VOLUMES faster as you only calculate the Q6 values in the region of interest and the surrounding link cells. In other words you avoid calculating things that you know will make no contribution to the CV
Showing
- src/core/ActionAtomistic.h 1 addition, 1 deletionsrc/core/ActionAtomistic.h
- src/multicolvar/MultiColvarBase.cpp 100 additions, 60 deletionssrc/multicolvar/MultiColvarBase.cpp
- src/multicolvar/MultiColvarBase.h 11 additions, 1 deletionsrc/multicolvar/MultiColvarBase.h
- src/vesselbase/ActionWithVessel.cpp 1 addition, 1 deletionsrc/vesselbase/ActionWithVessel.cpp
- src/vesselbase/StoreDataVessel.cpp 3 additions, 2 deletionssrc/vesselbase/StoreDataVessel.cpp
- src/vesselbase/StoreDataVessel.h 1 addition, 1 deletionsrc/vesselbase/StoreDataVessel.h
Loading
Please register or sign in to comment