Searched defs:BLYPFunctional (Results 1 – 3 of 3) sorted by relevance
103 Functional BLYPFunctional = GGA_FUNCTIONAL("BLYP", blyp_read); variable
25 BLYPFunctional::BLYPFunctional(const vector<vector<double> > &rhoe) in BLYPFunctional() function in BLYPFunctional
169 Functional BLYPFunctional = GGA_FUNCTIONAL("BLYP", 3, blyp_read); variable