# | Line 124 | Line 124 | void MoLocator::calcRef( void ){ | |
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124 | continue; | |
125 | //get mass and the reference coordinate | |
126 | else{ | |
127 | < | |
127 | > | currAtomMass = getAtomMass(currAtomStamp->getType(), myFF); |
128 | mass.push_back(currAtomMass); | |
129 | coor.x() = currAtomStamp->getPosX(); | |
130 | coor.y() = currAtomStamp->getPosY(); |
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