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Searched refs:nmder (Results 1 – 2 of 2) sorted by relevance

/dports/science/plumed/plumed2-2.7.2/src/multicolvar/
H A DVolumeGradientBase.cpp86 unsigned nmder=getPntrToMultiColvar()->getNumberOfDerivatives(); in setNumberInVolume() local
87 …for(unsigned i=0; i<3; ++i) for(unsigned j=0; j<3; ++j) outvals.addDerivative( ivol, nmder-9+3*i+j… in setNumberInVolume()
89 unsigned iatom=nmder+3*i; in setNumberInVolume()
107 unsigned nmder=getPntrToMultiColvar()->getNumberOfDerivatives(); in setNumberInVolume() local
108 …for(unsigned i=0; i<3; ++i) for(unsigned j=0; j<3; ++j) outvals.addDerivative( ivol, nmder-9+3*i+j… in setNumberInVolume()
110 unsigned iatom=nmder+3*i; in setNumberInVolume()
127 unsigned nmder=getPntrToMultiColvar()->getNumberOfDerivatives(); in setNumberInVolume() local
128 …for(unsigned i=0; i<3; ++i) for(unsigned j=0; j<3; ++j) outvals.addDerivative( ivol, nmder-9+3*i+j… in setNumberInVolume()
130 unsigned iatom=nmder+3*i; in setNumberInVolume()
/dports/devel/py-cclib/cclib-1.7.1/data/Jaguar/basicJaguar7.0/
H A Ddvb_ir.in9 nmder=2