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

/dports/science/shelxle/shelxle-1.0.1352/
H A Dmolecule.h693 double HAMax,HAWink; variable
H A Dmolecule.cpp40 HAMax=2.5; in Molecule()
5213 HAMax=einstellung.value("HBondMaxDist",2.5).toDouble(); in loadSettings()
5252 void Molecule::setHBondMaxDist(double d){if ((d>0.0)&&(d<4.0)) HAMax=d;} in setHBondMaxDist()
5264 double Molecule::hbdist(){return HAMax;} in hbdist()
7238 if (HAMax<0.01)return ""; in h_bonds()
7269 if (gg<=HAMax){ in h_bonds()
7349 if (HAMax<0.01)return ; in h_bonds2()
7381 if (gg<=HAMax){ in h_bonds2()