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Add an interface to get thermal conducitivity object.

This commit is contained in:
Atsushi Togo 2014-01-24 18:06:02 +09:00
parent a40029837c
commit 0b7000d22a
1 changed files with 9 additions and 3 deletions
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12
anharmonic/phonon3/__init__.py
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@ -64,7 +64,7 @@ class Phono3py:
lapack_zheev_uplo=lapack_zheev_uplo) lapack_zheev_uplo=lapack_zheev_uplo)
# Thermal conductivity # Thermal conductivity
self._thermal_conductivity = None self._thermal_conductivity = None # conductivity_RTA object
# Imaginary part of self energy at frequency points # Imaginary part of self energy at frequency points
self._imag_self_energy = None self._imag_self_energy = None
@ -75,7 +75,10 @@ class Phono3py:
self._grid_points = None self._grid_points = None
self._frequency_points = None self._frequency_points = None
self._temperatures = None self._temperatures = None
def get_interaction_strength(self):
return self._interaction
def set_dynamical_matrix(self, def set_dynamical_matrix(self,
fc2, fc2,
supercell, supercell,
@ -170,7 +173,10 @@ class Phono3py:
read_gamma=read_gamma, read_gamma=read_gamma,
input_filename=input_filename, input_filename=input_filename,
output_filename=output_filename, output_filename=output_filename,
log_level=self._log_level) log_level=self._log_level)
def get_thermal_conductivity(self):
return self._thermal_conductivity
def get_frequency_shift(self, def get_frequency_shift(self,
grid_points, grid_points,