def get_jk(self, dm, hermi=1, with_j=True, with_k=True,
direct_scf_tol=getattr(__config__, 'scf_hf_SCF_direct_scf_tol', 1e-13),
omega=None):
if omega is None:
return df_jk.r_get_jk(self, dm, hermi, with_j, with_k)
# A temporary treatment for RSH-DF integrals
key = '%.6f' % omega
if key in self._rsh_df:
rsh_df = self._rsh_df[key]
else:
rsh_df = self._rsh_df[key] = copy.copy(self).reset()
logger.info(self, 'Create RSH-DF object %s for omega=%s', rsh_df, omega)
with rsh_df.mol.with_range_coulomb(omega):
return df_jk.r_get_jk(rsh_df, dm, hermi, with_j, with_k)
def get_jk(self, dm, hermi=1, vhfopt=None, with_j=True, with_k=True):
return df_jk.r_get_jk(self, dm, hermi)
def get_jk(self, dm, hermi=1, vhfopt=None, with_j=True, with_k=True):
return df_jk.r_get_jk(self, dm, hermi)
def get_jk(self, dm, hermi=1, vhfopt=None, with_j=True, with_k=True):
from pyscf.df import df_jk
return df_jk.r_get_jk(self, dm, hermi)
def get_jk(self, dm, hermi=1, vhfopt=None, with_j=True, with_k=True):
from pyscf.df import df_jk
return df_jk.r_get_jk(self, dm, hermi)