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[py3] In Python3 xrange was replaced by range

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This commit is contained in:
Nils Wentzell 2020-04-08 15:51:27 -04:00
parent 0598b5f0a4
commit 2b673f7926
4 changed files with 4 additions and 4 deletions
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2
python/converters/plovasp/elstruct.py
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@ -142,7 +142,7 @@ class ElectronicStructure:
## Construct a map to access coordinates by index ## Construct a map to access coordinates by index
# self.structure['ion_index'] = [] # self.structure['ion_index'] = []
# for isort, nq in enumerate(self.structure['nq_types']): # for isort, nq in enumerate(self.structure['nq_types']):
# for iq in xrange(nq): # for iq in range(nq):
# self.structure['ion_index'].append((isort, iq)) # self.structure['ion_index'].append((isort, iq))

2
python/converters/plovasp/proj_group.py
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@ -335,7 +335,7 @@ class ProjectorGroup:
1. Orthogonality is ensured on each site (NORMION = True). 1. Orthogonality is ensured on each site (NORMION = True).
For each site 'ion' we have the following mapping: For each site 'ion' we have the following mapping:
block_maps = [bl_map[ion] for ion in xrange(shell.nion) block_maps = [bl_map[ion] for ion in range(shell.nion)
for shell in shells] for shell in shells]
bl_map = [((i1_start, i1_end), (i1_shell, ion)), bl_map = [((i1_start, i1_end), (i1_shell, ion)),

2
python/converters/plovasp/proj_shell.py
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@ -262,7 +262,7 @@ class ProjectorShell:
for ip, par in enumerate(proj_params): for ip, par in enumerate(proj_params):
if par['isite'] - 1 == ion and par['l'] == self.lorb and par['m'] == m: if par['isite'] - 1 == ion and par['l'] == self.lorb and par['m'] == m:
self.proj_arr[io, :, :, m, :] = proj_raw[ip, :, :, :] self.proj_arr[io, :, :, m, :] = proj_raw[ip, :, :, :]
# for ik in xrange(nk): # for ik in range(nk):
# kp = kmesh['kpoints'][ik] # kp = kmesh['kpoints'][ik]
## kphase = np.exp(-2.0j * np.pi * np.dot(kp, qcoord)) ## kphase = np.exp(-2.0j * np.pi * np.dot(kp, qcoord))
# kphase = 1.0 # kphase = 1.0

2
python/converters/plovasp/vaspio.py
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@ -435,7 +435,7 @@ class Poscar:
# print # print
# print " Coords:" # print " Coords:"
# for it in xrange(ntypes): # for it in range(ntypes):
# print " Element:", el_names[it] # print " Element:", el_names[it]
# print q_at[it] # print q_at[it]