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Fixes to multicolvar neighbor list
Neighbor list in multicolvar now has three input parameters TOL - all values less than this are ignored NL_TOL - all values less than this are ignored until next neighbor list time NL_STRIDE - frequency with which to update neighbor list Neighbor list has been tested for DISTANCES and ANGLES. Still needs more testing
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- regtest/multicolvar/rt-ang-neigh/Makefile 1 addition, 0 deletionsregtest/multicolvar/rt-ang-neigh/Makefile
- regtest/multicolvar/rt-ang-neigh/colvar.reference 12 additions, 0 deletionsregtest/multicolvar/rt-ang-neigh/colvar.reference
- regtest/multicolvar/rt-ang-neigh/config 3 additions, 0 deletionsregtest/multicolvar/rt-ang-neigh/config
- regtest/multicolvar/rt-ang-neigh/plumed.dat 3 additions, 0 deletionsregtest/multicolvar/rt-ang-neigh/plumed.dat
- regtest/multicolvar/rt-ang-neigh/trajout.gro 19041 additions, 0 deletionsregtest/multicolvar/rt-ang-neigh/trajout.gro
- regtest/multicolvar/rt-dist-neigh/Makefile 1 addition, 0 deletionsregtest/multicolvar/rt-dist-neigh/Makefile
- regtest/multicolvar/rt-dist-neigh/colvar.reference 52 additions, 0 deletionsregtest/multicolvar/rt-dist-neigh/colvar.reference
- regtest/multicolvar/rt-dist-neigh/config 3 additions, 0 deletionsregtest/multicolvar/rt-dist-neigh/config
- regtest/multicolvar/rt-dist-neigh/plumed.dat 3 additions, 0 deletionsregtest/multicolvar/rt-dist-neigh/plumed.dat
- regtest/multicolvar/rt-dist-neigh/trajout.gro 88281 additions, 0 deletionsregtest/multicolvar/rt-dist-neigh/trajout.gro
- src/manyrestraints/ManyRestraintsBase.cpp 1 addition, 2 deletionssrc/manyrestraints/ManyRestraintsBase.cpp
- src/manyrestraints/Sphere.cpp 3 additions, 3 deletionssrc/manyrestraints/Sphere.cpp
- src/multicolvar/ActionVolume.cpp 15 additions, 18 deletionssrc/multicolvar/ActionVolume.cpp
- src/multicolvar/ActionVolume.h 3 additions, 3 deletionssrc/multicolvar/ActionVolume.h
- src/multicolvar/AlphaBeta.cpp 4 additions, 3 deletionssrc/multicolvar/AlphaBeta.cpp
- src/multicolvar/Angles.cpp 11 additions, 1 deletionsrc/multicolvar/Angles.cpp
- src/multicolvar/Bridge.cpp 8 additions, 1 deletionsrc/multicolvar/Bridge.cpp
- src/multicolvar/MultiColvar.cpp 68 additions, 32 deletionssrc/multicolvar/MultiColvar.cpp
- src/multicolvar/MultiColvar.h 13 additions, 1 deletionsrc/multicolvar/MultiColvar.h
- src/multicolvar/MultiColvarBase.cpp 47 additions, 45 deletionssrc/multicolvar/MultiColvarBase.cpp
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