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6dfb7d1e

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Commit 6dfb7d1e authored 7 years ago by carlocamilloni

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cs2back: parallel virial and more regtests

parent 5c694ee2

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regtest/isdb/rt-cs2backbone-mpi/colvar.0.reference 2 additions, 2 deletions

regtest/isdb/rt-cs2backbone-mpi/colvar.0.reference
regtest/isdb/rt-cs2backbone-mpi/colvar.1.reference 2 additions, 2 deletions

regtest/isdb/rt-cs2backbone-mpi/colvar.1.reference
regtest/isdb/rt-cs2backbone-mpi/csaderiv.0.reference 7846 additions, 0 deletions

regtest/isdb/rt-cs2backbone-mpi/csaderiv.0.reference
regtest/isdb/rt-cs2backbone-mpi/csaderiv.1.reference 7846 additions, 0 deletions

regtest/isdb/rt-cs2backbone-mpi/csaderiv.1.reference
regtest/isdb/rt-cs2backbone-mpi/plumed.dat 3 additions, 2 deletions

regtest/isdb/rt-cs2backbone-mpi/plumed.dat
src/isdb/CS2Backbone.cpp 59 additions, 56 deletions

src/isdb/CS2Backbone.cpp

with 15758 additions and 62 deletions

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