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isdb: improve jcoupling in preparation of more changes
and improved regtests
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- regtest/isdb/rt-jcouplings-mi/atom_forces.reference 20 additions, 20 deletionsregtest/isdb/rt-jcouplings-mi/atom_forces.reference
- regtest/isdb/rt-jcouplings-mi/force.new.reference 811 additions, 811 deletionsregtest/isdb/rt-jcouplings-mi/force.new.reference
- regtest/isdb/rt-jcouplings-mi/plumed.dat 20 additions, 1 deletionregtest/isdb/rt-jcouplings-mi/plumed.dat
- regtest/isdb/rt-jcouplings/COLVAR.reference 2 additions, 2 deletionsregtest/isdb/rt-jcouplings/COLVAR.reference
- regtest/isdb/rt-jcouplings/deriv-jhahn.reference 7 additions, 7 deletionsregtest/isdb/rt-jcouplings/deriv-jhahn.reference
- regtest/isdb/rt-jcouplings/deriv-jhan.reference 2 additions, 2 deletionsregtest/isdb/rt-jcouplings/deriv-jhan.reference
- src/isdb/Jcoupling.cpp 64 additions, 65 deletionssrc/isdb/Jcoupling.cpp
- src/isdb/RDC.cpp 1 addition, 3 deletionssrc/isdb/RDC.cpp
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