Searched refs:DIIS_BFGS (Results 1 – 1 of 1) sorted by relevance
52 static double DIIS_BFGS(int iter, double ***neb_atom_coordinates, double norm, double Max_Force);1644 Max_Step = DIIS_BFGS(iter, neb_atom_coordinates,norm,Max_Force); in Update_Coordinates()1742 double DIIS_BFGS(int iter, double ***neb_atom_coordinates, double norm, double Max_Force) in DIIS_BFGS() function