scnc
/
phonopy
mirror of https://github.com/phonopy/phonopy.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

Minor update of spglib

This commit is contained in:
Atsushi Togo 2015-06-17 17:56:03 +09:00
parent f0e0ca4f2f
commit 5155b39375
1 changed files with 0 additions and 20 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

20
phonopy/structure/spglib.py
View File

@ -402,26 +402,6 @@ def get_neighboring_grid_points(grid_point,
###################### ######################
# Tetrahedron method # # Tetrahedron method #
###################### ######################
def get_triplets_tetrahedra_vertices(relative_grid_address,
mesh,
triplets,
bz_grid_address,
bz_map):
num_tripltes = len(triplets)
vertices = np.zeros((num_tripltes, 2, 24, 4), dtype='intc')
for i, tp in enumerate(triplets):
vertices_at_tp = np.zeros((2, 24, 4), dtype='intc')
spg.triplet_tetrahedra_vertices(
vertices_at_tp,
relative_grid_address,
np.array(mesh, dtype='intc'),
tp,
bz_grid_address,
bz_map)
vertices[i] = vertices_at_tp
return vertices
def get_tetrahedra_relative_grid_address(microzone_lattice): def get_tetrahedra_relative_grid_address(microzone_lattice):
""" """
reciprocal_lattice: reciprocal_lattice: