scnc
/
phono3py
mirror of https://github.com/phonopy/phono3py.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity

Minor fix of integer type handling

This commit is contained in:
Atsushi Togo 2021-02-22 22:02:29 +09:00
parent 73e6b625e3
commit 5a34e48dd1
2 changed files with 8 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

10
phono3py/phonon3/fc3.py
View File

@ -546,13 +546,17 @@ def show_drift_fc3(fc3,
else: else:
try: try:
import phono3py._phono3py as phono3c import phono3py._phono3py as phono3c
s2p_map = primitive.get_supercell_to_primitive_map() s2p_map = primitive.s2p_map
p2s_map = primitive.get_primitive_to_supercell_map() p2s_map = primitive.p2s_map
p2p_map = primitive.get_primitive_to_primitive_map() p2p_map = primitive.p2p_map
permutations = primitive.get_atomic_permutations() permutations = primitive.get_atomic_permutations()
s2pp_map, nsym_list = get_nsym_list_and_s2pp(s2p_map, s2pp_map, nsym_list = get_nsym_list_and_s2pp(s2p_map,
p2p_map, p2p_map,
permutations) permutations)
permutations = np.array(permutations, dtype='int_', order='C')
s2pp_map = np.array(s2pp_map, dtype='int_')
p2s_map = np.array(p2s_map, dtype='int_')
nsym_list = np.array(nsym_list, dtype='int_')
num_patom = fc3.shape[0] num_patom = fc3.shape[0]
num_satom = fc3.shape[1] num_satom = fc3.shape[1]
maxval1 = 0 maxval1 = 0

2
phono3py/phonon3/joint_dos.py
View File

@ -70,7 +70,7 @@ class JointDos(object):
lapack_zheev_uplo='L'): lapack_zheev_uplo='L'):
self._grid_point = None self._grid_point = None
self._mesh = np.array(mesh, dtype='intc') self._mesh = np.array(mesh, dtype='int_')
self._primitive = primitive self._primitive = primitive
self._supercell = supercell self._supercell = supercell
self._fc2 = fc2 self._fc2 = fc2