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d3cf8690

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Commit d3cf8690 authored 8 years ago by Gareth Tribello

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Fixed nan in SMAC with SPECIESA and SPECIESB with same sets of molecules

parent 4f2317af

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CHANGES/v2.3.txt 1 addition, 0 deletions

CHANGES/v2.3.txt
regtest/crystallization/rt-smac/colvar2.reference 12 additions, 0 deletions

regtest/crystallization/rt-smac/colvar2.reference
regtest/crystallization/rt-smac/plumed.dat 4 additions, 0 deletions

regtest/crystallization/rt-smac/plumed.dat
src/crystallization/MoleculeOrientation.cpp 7 additions, 0 deletions

src/crystallization/MoleculeOrientation.cpp
src/crystallization/MoleculePlane.cpp 7 additions, 0 deletions

src/crystallization/MoleculePlane.cpp
src/multicolvar/MultiColvarBase.cpp 2 additions, 2 deletions

src/multicolvar/MultiColvarBase.cpp

with 33 additions and 2 deletions

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