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Working pamm collective variables and tests based on real data
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- regtest/multicolvar/rt-pamm-periodic/2D-testc-0.75.pammp 8 additions, 0 deletionsregtest/multicolvar/rt-pamm-periodic/2D-testc-0.75.pammp
- regtest/multicolvar/rt-pamm-periodic/M1d.pdb 384 additions, 0 deletionsregtest/multicolvar/rt-pamm-periodic/M1d.pdb
- regtest/multicolvar/rt-pamm-periodic/M1d_open.xyz 2292 additions, 0 deletionsregtest/multicolvar/rt-pamm-periodic/M1d_open.xyz
- regtest/multicolvar/rt-pamm-periodic/Makefile 0 additions, 0 deletionsregtest/multicolvar/rt-pamm-periodic/Makefile
- regtest/multicolvar/rt-pamm-periodic/colvar.reference 7 additions, 0 deletionsregtest/multicolvar/rt-pamm-periodic/colvar.reference
- regtest/multicolvar/rt-pamm-periodic/config 3 additions, 0 deletionsregtest/multicolvar/rt-pamm-periodic/config
- regtest/multicolvar/rt-pamm-periodic/deriv.reference 3079 additions, 0 deletionsregtest/multicolvar/rt-pamm-periodic/deriv.reference
- regtest/multicolvar/rt-pamm-periodic/plumed.dat 61 additions, 0 deletionsregtest/multicolvar/rt-pamm-periodic/plumed.dat
- regtest/multicolvar/rt-pamm/clusters.dat 0 additions, 3 deletionsregtest/multicolvar/rt-pamm/clusters.dat
- regtest/multicolvar/rt-pamm/colvar.reference 0 additions, 6 deletionsregtest/multicolvar/rt-pamm/colvar.reference
- regtest/multicolvar/rt-pamm/config 0 additions, 4 deletionsregtest/multicolvar/rt-pamm/config
- regtest/multicolvar/rt-pamm/deriv.reference 0 additions, 226 deletionsregtest/multicolvar/rt-pamm/deriv.reference
- regtest/multicolvar/rt-pamm/plumed.dat 0 additions, 9 deletionsregtest/multicolvar/rt-pamm/plumed.dat
- regtest/multicolvar/rt-pamm/test.pdb 0 additions, 11 deletionsregtest/multicolvar/rt-pamm/test.pdb
- src/multicolvar/PAMM.cpp 8 additions, 5 deletionssrc/multicolvar/PAMM.cpp
- src/tools/KernelFunctions.cpp 63 additions, 23 deletionssrc/tools/KernelFunctions.cpp
- src/tools/MolDataClass.cpp 4 additions, 1 deletionsrc/tools/MolDataClass.cpp
- src/tools/Tools.cpp 11 additions, 0 deletionssrc/tools/Tools.cpp
- src/tools/Tools.h 2 additions, 0 deletionssrc/tools/Tools.h
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