Searched refs:eval_gradhess (Results 1 – 2 of 2) sorted by relevance
29 gh = gto.eval_gradhess(*pos)80 gh = gto.eval_gradhess(*pos)139 gh = gtos.eval_gradhess(*pos)
238 def eval_gradhess(self,x,y,z): member in GTO325 def eval_gradhess(self, x, y, z): member in GTO_centers329 gh = gto.eval_gradhess(x,y,z)