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[feat] use new .values() functionality of meshes

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This commit is contained in:
Alexander Hampel 2024-08-13 09:06:38 -04:00
parent 0aab50a923
commit 6424567335
1 changed files with 8 additions and 14 deletions
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22
python/triqs_dft_tools/sumk_dft.py
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@ -28,6 +28,7 @@ from types import *
import numpy as np import numpy as np
import triqs.utility.dichotomy as dichotomy import triqs.utility.dichotomy as dichotomy
from triqs.gf import * from triqs.gf import *
from triqs.gf.meshes import MeshImFreq, MeshReFreq, MeshDLRImFreq
import triqs.utility.mpi as mpi import triqs.utility.mpi as mpi
from triqs.utility.comparison_tests import assert_arrays_are_close from triqs.utility.comparison_tests import assert_arrays_are_close
from h5 import HDFArchive from h5 import HDFArchive
@ -106,21 +107,14 @@ class SumkDFT(object):
self.h_field = h_field self.h_field = h_field
if mesh is None: if mesh is None:
self.mesh = MeshImFreq(beta=beta, S='Fermion', n_max=n_iw) self.mesh = MeshImFreq(beta=beta, statistic='Fermion', n_iw=n_iw)
self.mesh_values = np.linspace(self.mesh(self.mesh.first_index()), self.mesh_values = np.vectorize(lambda x: x.value)(self.mesh.values())
self.mesh(self.mesh.last_index()), elif isinstance(mesh, (MeshImFreq, MeshDLRImFreq)):
len(self.mesh)) self.mesh = mesh.copy()
elif isinstance(mesh, MeshImFreq): self.mesh_values = np.vectorize(lambda x: x.value)(self.mesh.values())
self.mesh = mesh
self.mesh_values = np.linspace(self.mesh(self.mesh.first_index()),
self.mesh(self.mesh.last_index()),
len(self.mesh))
elif isinstance(mesh, MeshDLRImFreq):
self.mesh = mesh
self.mesh_values = np.array([iwn.value for iwn in mesh.values()])
elif isinstance(mesh, MeshReFreq): elif isinstance(mesh, MeshReFreq):
self.mesh = mesh self.mesh = mesh.copy()
self.mesh_values = np.linspace(self.mesh.w_min, self.mesh.w_max, len(self.mesh)) self.mesh_values = self.mesh.values()
else: else:
raise ValueError('mesh must be a triqs mesh of type MeshImFreq or MeshReFreq') raise ValueError('mesh must be a triqs mesh of type MeshImFreq or MeshReFreq')