def update_mf_(self, mf):
from pyscf.df import mdf_jk
def get_j(mol, dm, hermi=1):
return mdf_jk.get_jk(self, dm, hermi, mf.opt, with_j=True, with_k=False)[0]
def get_k(mol, dm, hermi=1):
return mdf_jk.get_jk(self, dm, hermi, mf.opt, with_j=False, with_k=True)[1]
mf.get_j = get_j
mf.get_k = get_k
mf.get_jk = lambda mol, dm, hermi=1: mdf_jk.get_jk(self, dm, hermi, mf.opt)
return mf
def get_k(mol, dm, hermi=1):
return mdf_jk.get_jk(self, dm, hermi, mf.opt, with_j=False, with_k=True)[1]
def get_jk(self, dm, hermi=1, vhfopt=None, with_j=True, with_k=True):
from pyscf.df import mdf_jk
return mdf_jk.get_jk(self, dm, hermi, vhfopt, with_j, with_k)