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Added weighting in symmetry functions so you can calculate things like...
Added weighting in symmetry functions so you can calculate things like coordination number between atoms that are three coordinated
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- regtest/crystallization/rt-q6-subset/config 1 addition, 1 deletionregtest/crystallization/rt-q6-subset/config
- regtest/crystallization/rt-q6-subset/deriv3.reference 762 additions, 363 deletionsregtest/crystallization/rt-q6-subset/deriv3.reference
- regtest/crystallization/rt-q6-subset/forces.reference 66 additions, 0 deletionsregtest/crystallization/rt-q6-subset/forces.reference
- regtest/crystallization/rt-q6-subset/plumed.dat 2 additions, 0 deletionsregtest/crystallization/rt-q6-subset/plumed.dat
- regtest/crystallization/rt-urea/Makefile 1 addition, 0 deletionsregtest/crystallization/rt-urea/Makefile
- regtest/crystallization/rt-urea/colvar.reference 4 additions, 0 deletionsregtest/crystallization/rt-urea/colvar.reference
- regtest/crystallization/rt-urea/config 3 additions, 0 deletionsregtest/crystallization/rt-urea/config
- regtest/crystallization/rt-urea/plumed.dat 315 additions, 0 deletionsregtest/crystallization/rt-urea/plumed.dat
- regtest/crystallization/rt-urea/traj.xyz 3606 additions, 0 deletionsregtest/crystallization/rt-urea/traj.xyz
- regtest/multicolvar/rt-two-filter/Makefile 1 addition, 0 deletionsregtest/multicolvar/rt-two-filter/Makefile
- regtest/multicolvar/rt-two-filter/colv.reference 2 additions, 0 deletionsregtest/multicolvar/rt-two-filter/colv.reference
- regtest/multicolvar/rt-two-filter/config 3 additions, 0 deletionsregtest/multicolvar/rt-two-filter/config
- regtest/multicolvar/rt-two-filter/forces.reference 514 additions, 0 deletionsregtest/multicolvar/rt-two-filter/forces.reference
- regtest/multicolvar/rt-two-filter/gas-one.xyz 514 additions, 0 deletionsregtest/multicolvar/rt-two-filter/gas-one.xyz
- regtest/multicolvar/rt-two-filter/log 1546 additions, 0 deletionsregtest/multicolvar/rt-two-filter/log
- regtest/multicolvar/rt-two-filter/plumed.dat 7 additions, 0 deletionsregtest/multicolvar/rt-two-filter/plumed.dat
- src/adjmat/AdjacencyMatrixBase.cpp 1 addition, 1 deletionsrc/adjmat/AdjacencyMatrixBase.cpp
- src/adjmat/AdjacencyMatrixBase.h 1 addition, 1 deletionsrc/adjmat/AdjacencyMatrixBase.h
- src/adjmat/MatrixSummationBase.cpp 2 additions, 1 deletionsrc/adjmat/MatrixSummationBase.cpp
- src/crystallization/CubicHarmonicBase.cpp 5 additions, 16 deletionssrc/crystallization/CubicHarmonicBase.cpp
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