def get_tetrahedra_integration_weight(omegas, tetrahedra_omegas, function='I'):
"""Returns integration weights
Parameters
----------
omegas : float or list of float values
Energy(s) at which the integration weight(s) are computed.
tetrahedra_omegas : ndarray of list of list
Energies at vertices of 24 tetrahedra
shape=(24, 4)
dytpe='double'
function : str, 'I' or 'J'
'J' is for intetration and 'I' is for its derivative.
"""
if isinstance(omegas, float):
return phonoc.tetrahedra_integration_weight(
omegas, np.array(tetrahedra_omegas, dtype='double', order='C'),
function)
else:
integration_weights = np.zeros(len(omegas), dtype='double')
phonoc.tetrahedra_integration_weight_at_omegas(
integration_weights, np.array(omegas, dtype='double'),
np.array(tetrahedra_omegas, dtype='double', order='C'), function)
return integration_weights
def get_tetrahedra_integration_weight(omegas,
tetrahedra_omegas,
function='I'):
"""Returns integration weights
Parameters
----------
omegas : float or list of float values
Energy(s) at which the integration weight(s) are computed.
tetrahedra_omegas : ndarray of list of list
Energies at vertices of 24 tetrahedra
shape=(24, 4)
dytpe='double'
function : str, 'I' or 'J'
'J' is for intetration and 'I' is for its derivative.
"""
if isinstance(omegas, float):
return phonoc.tetrahedra_integration_weight(
omegas,
np.array(tetrahedra_omegas, dtype='double', order='C'),
function)
else:
integration_weights = np.zeros(len(omegas), dtype='double')
phonoc.tetrahedra_integration_weight_at_omegas(
integration_weights,
np.array(omegas, dtype='double'),
np.array(tetrahedra_omegas, dtype='double', order='C'),
function)
return integration_weights
def get_tetrahedra_integration_weight(omegas, tetrahedra_omegas, function='I'):
if isinstance(omegas, float):
return phonoc.tetrahedra_integration_weight(
omegas, np.array(tetrahedra_omegas, dtype='double', order='C'),
function)
else:
integration_weights = np.zeros(len(omegas), dtype='double')
phonoc.tetrahedra_integration_weight_at_omegas(
integration_weights, np.array(omegas, dtype='double'),
np.array(tetrahedra_omegas, dtype='double', order='C'), function)
return integration_weights
def get_tetrahedra_integration_weight(omegas, tetrahedra_omegas, function="I"):
if isinstance(omegas, float):
return phonoc.tetrahedra_integration_weight(
omegas, np.array(tetrahedra_omegas, dtype="double", order="C"), function
)
else:
integration_weights = np.zeros(len(omegas), dtype="double")
phonoc.tetrahedra_integration_weight_at_omegas(
integration_weights,
np.array(omegas, dtype="double"),
np.array(tetrahedra_omegas, dtype="double", order="C"),
function,
)
return integration_weights
def get_tetrahedra_integration_weight(omegas,
tetrahedra_omegas,
function='I'):
if isinstance(omegas, float):
return phonoc.tetrahedra_integration_weight(
omegas,
np.array(tetrahedra_omegas, dtype='double', order='C'),
function)
else:
integration_weights = np.zeros(len(omegas), dtype='double')
phonoc.tetrahedra_integration_weight_at_omegas(
integration_weights,
np.array(omegas, dtype='double'),
np.array(tetrahedra_omegas, dtype='double', order='C'),
function)
return integration_weights