Searched refs:Arti_Grad (Results 1 – 3 of 3) sorted by relevance
3902 double Arti_Grad; variable
1146 input_double("MD.Artificial_Grad",&Arti_Grad,(double)0.0); /* Hartree/Bohr */ in Input_std()1153 printf("## * Gradient = %12.9f (Hartree/Bohr) \n",Arti_Grad); in Input_std()
855 if(Gc_AN==1) Gxyz[1][17] += Arti_Grad; in Force()