def stability(self,
internal=getattr(__config__, 'scf_stability_internal', True),
external=getattr(__config__, 'scf_stability_external',
False),
verbose=None,
return_status=False):
'''
ROHF/ROKS stability analysis.
See also pyscf.scf.stability.rohf_stability function.
Kwargs:
internal : bool
Internal stability, within the RHF optimization space.
external : bool
External stability. It is not available in current version.
return_status: bool
Whether to return `stable_i` and `stable_e`
Returns:
If return_status is False (default), the return value includes
two set of orbitals, which are more close to the stable condition.
The first corresponds to the internal stability
and the second corresponds to the external stability.
Else, another two boolean variables (indicating current status:
stable or unstable) are returned.
The first corresponds to the internal stability
and the second corresponds to the external stability.
'''
from pyscf.scf.stability import rohf_stability
return rohf_stability(self, internal, external, verbose, return_status)
def stability(self, internal=True, external=False, verbose=None):
'''
ROHF/ROKS stability analysis.
See also pyscf.scf.stability.rohf_stability function.
Kwargs:
internal : bool
Internal stability, within the RHF optimization space.
external : bool
External stability. It is not available in current version.
Returns:
The return value includes two set of orbitals which are more close to
the required stable condition.
'''
from pyscf.scf.stability import rohf_stability
return rohf_stability(self, internal, external, verbose)
def stability(self,
internal=getattr(__config__, 'scf_stability_internal', True),
external=getattr(__config__, 'scf_stability_external', False),
verbose=None):
'''
ROHF/ROKS stability analysis.
See also pyscf.scf.stability.rohf_stability function.
Kwargs:
internal : bool
Internal stability, within the RHF optimization space.
external : bool
External stability. It is not available in current version.
Returns:
The return value includes two set of orbitals which are more close to
the required stable condition.
'''
from pyscf.scf.stability import rohf_stability
return rohf_stability(self, internal, external, verbose)
def stability(self, internal=True, external=False, verbose=None):
from pyscf.scf.stability import rohf_stability
return rohf_stability(self, internal, external, verbose)
def stability(self, **kwargs):
return rohf_stability(self._pyscf, **kwargs)
