def run_thermal_conductivity(
self,
is_LBTE=True,
temperatures=np.arange(0, 1001, 10, dtype='double'),
sigmas=[],
is_isotope=False,
mass_variances=None,
grid_points=None,
mesh_divisors=None,
coarse_mesh_shifts=None,
cutoff_mfp=None, # in micrometre
is_reducible_collision_matrix=False,
no_kappa_stars=False,
gv_delta_q=None, # for group velocity
write_gamma=False,
read_gamma=False,
write_collision=False,
read_collision=False,
write_amplitude=False,
read_amplitude=False,
input_filename=None,
output_filename=None):
if is_LBTE:
self._thermal_conductivity = get_thermal_conductivity_LBTE(
self._interaction,
self._primitive_symmetry,
temperatures=temperatures,
sigmas=self._sigmas,
is_isotope=is_isotope,
mass_variances=mass_variances,
grid_points=grid_points,
cutoff_mfp=cutoff_mfp,
is_reducible_collision_matrix=is_reducible_collision_matrix,
no_kappa_stars=no_kappa_stars,
gv_delta_q=gv_delta_q,
write_collision=write_collision,
read_collision=read_collision,
input_filename=input_filename,
output_filename=output_filename,
log_level=self._log_level)
else:
self._thermal_conductivity = get_thermal_conductivity_RTA(
self._interaction,
self._primitive_symmetry,
temperatures=temperatures,
sigmas=self._sigmas,
is_isotope=is_isotope,
mass_variances=mass_variances,
grid_points=grid_points,
mesh_divisors=mesh_divisors,
coarse_mesh_shifts=coarse_mesh_shifts,
cutoff_mfp=cutoff_mfp,
no_kappa_stars=no_kappa_stars,
gv_delta_q=gv_delta_q,
write_gamma=write_gamma,
read_gamma=read_gamma,
input_filename=input_filename,
output_filename=output_filename,
log_level=self._log_level)
def run_thermal_conductivity(
self,
is_LBTE=True,
temperatures=np.arange(0, 1001, 10, dtype='double'),
sigmas=[],
is_isotope=False,
mass_variances=None,
grid_points=None,
mesh_divisors=None,
coarse_mesh_shifts=None,
cutoff_mfp=None, # in micrometre
is_reducible_collision_matrix=False,
no_kappa_stars=False,
gv_delta_q=None, # for group velocity
pinv_cutoff=1.0e-8, # for pseudo-inversion of collision matrix
write_gamma=False,
read_gamma=False,
write_collision=False,
read_collision=False,
write_amplitude=False,
read_amplitude=False,
input_filename=None,
output_filename=None):
if is_LBTE:
self._thermal_conductivity = get_thermal_conductivity_LBTE(
self._interaction,
self._primitive_symmetry,
temperatures=temperatures,
sigmas=self._sigmas,
is_isotope=is_isotope,
mass_variances=mass_variances,
grid_points=grid_points,
cutoff_mfp=cutoff_mfp,
is_reducible_collision_matrix=is_reducible_collision_matrix,
no_kappa_stars=no_kappa_stars,
gv_delta_q=gv_delta_q,
pinv_cutoff=pinv_cutoff,
write_collision=write_collision,
read_collision=read_collision,
input_filename=input_filename,
output_filename=output_filename,
log_level=self._log_level)
else:
self._thermal_conductivity = get_thermal_conductivity_RTA(
self._interaction,
self._primitive_symmetry,
temperatures=temperatures,
sigmas=self._sigmas,
is_isotope=is_isotope,
mass_variances=mass_variances,
grid_points=grid_points,
mesh_divisors=mesh_divisors,
coarse_mesh_shifts=coarse_mesh_shifts,
cutoff_mfp=cutoff_mfp,
no_kappa_stars=no_kappa_stars,
gv_delta_q=gv_delta_q,
write_gamma=write_gamma,
read_gamma=read_gamma,
input_filename=input_filename,
output_filename=output_filename,
log_level=self._log_level)
def run_thermal_conductivity(
self,
is_LBTE=True,
temperatures=np.arange(0, 1001, 10, dtype='double'),
sigmas=None,
is_isotope=False,
mass_variances=None,
grid_points=None,
boundary_mfp=None, # in micrometre
use_averaged_pp_interaction=False,
gamma_unit_conversion=None,
mesh_divisors=None,
coarse_mesh_shifts=None,
is_reducible_collision_matrix=False,
no_kappa_stars=False,
gv_delta_q=None, # for group velocity
run_with_g=True, # integration weights for smearing method, too
pinv_cutoff=1.0e-8, # for pseudo-inversion of collision matrix
write_gamma=False,
read_gamma=False,
write_collision=False,
read_collision=False,
write_amplitude=False,
read_amplitude=False,
input_filename=None,
output_filename=None):
if sigmas is None:
sigmas = []
if is_LBTE:
self._thermal_conductivity = get_thermal_conductivity_LBTE(
self._interaction,
self._primitive_symmetry,
temperatures=temperatures,
sigmas=self._sigmas,
is_isotope=is_isotope,
mass_variances=mass_variances,
grid_points=grid_points,
boundary_mfp=boundary_mfp,
is_reducible_collision_matrix=is_reducible_collision_matrix,
no_kappa_stars=no_kappa_stars,
gv_delta_q=gv_delta_q,
pinv_cutoff=pinv_cutoff,
write_collision=write_collision,
read_collision=read_collision,
input_filename=input_filename,
output_filename=output_filename,
log_level=self._log_level)
else:
self._thermal_conductivity = get_thermal_conductivity_RTA(
self._interaction,
self._primitive_symmetry,
temperatures=temperatures,
sigmas=self._sigmas,
is_isotope=is_isotope,
mass_variances=mass_variances,
grid_points=grid_points,
boundary_mfp=boundary_mfp,
use_averaged_pp_interaction=use_averaged_pp_interaction,
gamma_unit_conversion=gamma_unit_conversion,
mesh_divisors=mesh_divisors,
coarse_mesh_shifts=coarse_mesh_shifts,
no_kappa_stars=no_kappa_stars,
gv_delta_q=gv_delta_q,
run_with_g=run_with_g,
write_gamma=write_gamma,
read_gamma=read_gamma,
input_filename=input_filename,
output_filename=output_filename,
log_level=self._log_level)
def run_thermal_conductivity(
self,
is_LBTE=False,
temperatures=np.arange(0, 1001, 10, dtype='double'),
is_isotope=False,
mass_variances=None,
grid_points=None,
boundary_mfp=None, # in micrometre
use_ave_pp=False,
gamma_unit_conversion=None,
mesh_divisors=None,
coarse_mesh_shifts=None,
is_reducible_collision_matrix=False,
is_kappa_star=True,
gv_delta_q=None, # for group velocity
run_with_g=True, # integration weights for smearing method, too
is_full_pp=False,
pinv_cutoff=1.0e-8, # for pseudo-inversion of collision matrix
write_gamma=False,
read_gamma=False,
write_kappa=False,
write_collision=False,
read_collision=False,
write_amplitude=False,
read_amplitude=False,
input_filename=None,
output_filename=None):
if self._interaction is None:
self.set_phph_interaction()
if is_LBTE:
self._thermal_conductivity = get_thermal_conductivity_LBTE(
self._interaction,
self._primitive_symmetry,
temperatures=temperatures,
sigmas=self._sigmas,
is_isotope=is_isotope,
mass_variances=mass_variances,
grid_points=grid_points,
boundary_mfp=boundary_mfp,
is_reducible_collision_matrix=is_reducible_collision_matrix,
is_kappa_star=is_kappa_star,
gv_delta_q=gv_delta_q,
pinv_cutoff=pinv_cutoff,
write_collision=write_collision,
read_collision=read_collision,
write_kappa=write_kappa,
input_filename=input_filename,
output_filename=output_filename,
log_level=self._log_level)
else:
self._thermal_conductivity = get_thermal_conductivity_RTA(
self._interaction,
self._primitive_symmetry,
temperatures=temperatures,
sigmas=self._sigmas,
is_isotope=is_isotope,
mass_variances=mass_variances,
grid_points=grid_points,
boundary_mfp=boundary_mfp,
use_ave_pp=use_ave_pp,
gamma_unit_conversion=gamma_unit_conversion,
mesh_divisors=mesh_divisors,
coarse_mesh_shifts=coarse_mesh_shifts,
is_kappa_star=is_kappa_star,
gv_delta_q=gv_delta_q,
run_with_g=run_with_g,
is_full_pp=is_full_pp,
write_gamma=write_gamma,
read_gamma=read_gamma,
write_kappa=write_kappa,
input_filename=input_filename,
output_filename=output_filename,
log_level=self._log_level)