-
- Downloads
There was an error fetching the commit references. Please try again later.
Simplification of storage of data in multicolvar
For a number of complex multicolvars eg. Local_q4 it is useful to store the quantities calculated in one multicolvar and to use them later. I had written functionality for this in a somewhat ad hoc manner intially and as such there was much duplication of code and non uniformity in implications. This resolves these issues. Data is now stored more consistently and it is possible to use a low memory version of this functionality at all times.
Showing
- regtest/multicolvar/rt24-lowmem/Makefile 1 addition, 0 deletionsregtest/multicolvar/rt24-lowmem/Makefile
- regtest/multicolvar/rt24-lowmem/config 4 additions, 0 deletionsregtest/multicolvar/rt24-lowmem/config
- regtest/multicolvar/rt24-lowmem/derivatives.reference 196 additions, 0 deletionsregtest/multicolvar/rt24-lowmem/derivatives.reference
- regtest/multicolvar/rt24-lowmem/plumed.dat 3 additions, 0 deletionsregtest/multicolvar/rt24-lowmem/plumed.dat
- regtest/multicolvar/rt45/plumed.dat 1 addition, 1 deletionregtest/multicolvar/rt45/plumed.dat
- src/multicolvar/ActionVolume.cpp 2 additions, 0 deletionssrc/multicolvar/ActionVolume.cpp
- src/multicolvar/AlphaBeta.cpp 0 additions, 1 deletionsrc/multicolvar/AlphaBeta.cpp
- src/multicolvar/Angles.cpp 0 additions, 1 deletionsrc/multicolvar/Angles.cpp
- src/multicolvar/CoordinationNumbers.cpp 0 additions, 1 deletionsrc/multicolvar/CoordinationNumbers.cpp
- src/multicolvar/Density.cpp 0 additions, 1 deletionsrc/multicolvar/Density.cpp
- src/multicolvar/Distances.cpp 0 additions, 1 deletionsrc/multicolvar/Distances.cpp
- src/multicolvar/MultiColvar.cpp 3 additions, 3 deletionssrc/multicolvar/MultiColvar.cpp
- src/multicolvar/MultiColvar.h 4 additions, 6 deletionssrc/multicolvar/MultiColvar.h
- src/multicolvar/MultiColvarBase.cpp 98 additions, 22 deletionssrc/multicolvar/MultiColvarBase.cpp
- src/multicolvar/MultiColvarBase.h 38 additions, 49 deletionssrc/multicolvar/MultiColvarBase.h
- src/multicolvar/MultiColvarFunction.cpp 8 additions, 9 deletionssrc/multicolvar/MultiColvarFunction.cpp
- src/multicolvar/MultiColvarFunction.h 28 additions, 8 deletionssrc/multicolvar/MultiColvarFunction.h
- src/multicolvar/StoreCentralAtomsVessel.cpp 25 additions, 116 deletionssrc/multicolvar/StoreCentralAtomsVessel.cpp
- src/multicolvar/StoreCentralAtomsVessel.h 10 additions, 29 deletionssrc/multicolvar/StoreCentralAtomsVessel.h
- src/multicolvar/StoreColvarVessel.cpp 0 additions, 140 deletionssrc/multicolvar/StoreColvarVessel.cpp
Loading
Please register or sign in to comment