-
- Downloads
There was an error fetching the commit references. Please try again later.
Rewrote read in of KernelFunction objects
Note changes to HILLS files for metadynamics because the in sum_hills you read using kernel functions and there is now a requirment to specify the kernel type
Showing
- regtest/basic/rt10-restart/HILLS.reference 1 addition, 0 deletionsregtest/basic/rt10-restart/HILLS.reference
- regtest/basic/rt10/HILLS.reference 1 addition, 0 deletionsregtest/basic/rt10/HILLS.reference
- regtest/basic/rt11/HILLS.reference 1 addition, 0 deletionsregtest/basic/rt11/HILLS.reference
- regtest/basic/rt19/HH.reference 1 addition, 0 deletionsregtest/basic/rt19/HH.reference
- regtest/basic/rt24/HILLS.reference 1 addition, 0 deletionsregtest/basic/rt24/HILLS.reference
- regtest/basic/rt25/HILLS.reference 1 addition, 0 deletionsregtest/basic/rt25/HILLS.reference
- regtest/basic/rt31/HILLS.reference 1 addition, 0 deletionsregtest/basic/rt31/HILLS.reference
- regtest/basic/rt44/HILLS 0 additions, 552 deletionsregtest/basic/rt44/HILLS
- regtest/basic/rt44b/HILLS 1 addition, 0 deletionsregtest/basic/rt44b/HILLS
- regtest/basic/rt56/HILLS.reference 1 addition, 0 deletionsregtest/basic/rt56/HILLS.reference
- regtest/trajectories/HILLS_t1 1 addition, 0 deletionsregtest/trajectories/HILLS_t1
- regtest/trajectories/HILLS_t1a 1 addition, 0 deletionsregtest/trajectories/HILLS_t1a
- regtest/trajectories/HILLS_t1b 1 addition, 0 deletionsregtest/trajectories/HILLS_t1b
- regtest/trajectories/HILLS_t2 1 addition, 0 deletionsregtest/trajectories/HILLS_t2
- src/bias/MetaD.cpp 2 additions, 0 deletionssrc/bias/MetaD.cpp
- src/tools/BiasRepresentation.cpp 1 addition, 1 deletionsrc/tools/BiasRepresentation.cpp
- src/tools/KernelFunctions.cpp 36 additions, 32 deletionssrc/tools/KernelFunctions.cpp
- src/tools/KernelFunctions.h 1 addition, 1 deletionsrc/tools/KernelFunctions.h
Loading
Please register or sign in to comment