|
17 | 17 | import pandas as pd |
18 | 18 | from lazy_property import LazyProperty |
19 | 19 |
|
20 | | -import qha.multi_configurations as multi_configurations |
| 20 | +import qha.multi_configurations.different_phonon_dos as different_phonon_dos |
| 21 | +import qha.multi_configurations.same_phonon_dos as same_phonon_dos |
21 | 22 | import qha.tools |
22 | 23 | from qha.grid_interpolation import RefineGrid |
23 | 24 | from qha.out import save_to_output |
@@ -349,8 +350,8 @@ def vib_ry(self): |
349 | 350 | v = np.empty(self.temperature_array.shape) |
350 | 351 |
|
351 | 352 | for i, t in enumerate(self.temperature_array): |
352 | | - v[i] = multi_configurations.same_phonon_dos.FreeEnergy(t, self.volume_energy.as_matrix(), self.degeneracies, |
353 | | - self.q_weights, self.frequencies).total |
| 353 | + v[i] = same_phonon_dos.FreeEnergy(t, self.volume_energy.as_matrix(), self.degeneracies, |
| 354 | + self.q_weights, self.frequencies).total |
354 | 355 | return v |
355 | 356 |
|
356 | 357 |
|
@@ -419,7 +420,6 @@ def vib_ry(self): |
419 | 420 |
|
420 | 421 | mat = np.empty((self.temperature_array.size, self._volumes.shape[1])) |
421 | 422 | for i, t in enumerate(self.temperature_array): |
422 | | - mat[i] = multi_configurations.different_phonon_dos.PartitionFunction(t, *(arg for arg in |
423 | | - args)).derive_free_energy |
| 423 | + mat[i] = different_phonon_dos.PartitionFunction(t, *(arg for arg in args)).derive_free_energy |
424 | 424 |
|
425 | 425 | return mat |
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