Searched refs:j_minLUMOn (Results 1 – 1 of 1) sorted by relevance
132 int j_minLUMOq = *(intPtr++); int j_minLUMOn = *(intPtr++); double j_minLUMO = *(dblPtr++); in dumpExcitations() local134 if(j_minLUMO < minLUMO) { minLUMOq=j_minLUMOq; minLUMOn=j_minLUMOn; minLUMO=j_minLUMO; } in dumpExcitations()