LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2025-01-03 18:16:03 +01:00
Code Issues Releases Wiki Activity

[py3] Use free function next(..) for generator expressions

Browse Source
This commit is contained in:
Nils Wentzell 2020-04-08 15:56:45 -04:00
parent 6d5e04f006
commit b1d9229e83
1 changed files with 7 additions and 7 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

14
python/converters/plovasp/vaspio.py
View File

@ -357,7 +357,7 @@ class Poscar:
"""
# Convenince local function
def readline_remove_comments():
return f.next().split('!')[0].split('#')[0].strip()
return next(f).split('!')[0].split('#')[0].strip()
# Add a slash to the path name if necessary
if vasp_dir[-1] != '/':
@ -365,7 +365,7 @@ class Poscar:
f = read_lines(vasp_dir + poscar_filename)
# Comment line
comment = f.next().rstrip()
comment = next(f).rstrip()
print(" Found POSCAR, title line: %s"%(comment))
# Read scale
@ -567,7 +567,7 @@ class Eigenval:
# First line: only the first and the last number out of four
# are used; these are 'nions' and 'ispin'
sline = f.next().split()
sline = next(f).split()
self.nq = int(sline[0])
self.ispin = int(sline[3])
@ -582,7 +582,7 @@ class Eigenval:
sline = next(f)
# Sixth line: NELECT, NKTOT, NBTOT
sline = f.next().split()
sline = next(f).split()
self.nelect = int(sline[0])
self.nktot = int(sline[1])
self.nband = int(sline[2])
@ -601,7 +601,7 @@ class Eigenval:
self.kwghts[ik] = tmp[3]
for ib in range(self.nband):
sline = f.next().split()
sline = next(f).split()
tmp = list(map(float, sline))
assert len(tmp) == 2 * self.ispin + 1, "EIGENVAL file is incorrect (probably from old versions of VASP)"
self.eigs[ik, ib, :] = tmp[1:self.ispin+1]
@ -635,7 +635,7 @@ class Doscar:
f = read_lines(vasp_dir + dos_filename)
# First line: NION, NION, JOBPAR, NCDIJ
sline = f.next().split()
sline = next(f).split()
self.ncdij = int(sline[3])
# Skip next 4 lines
@ -643,7 +643,7 @@ class Doscar:
sline = next(f)
# Sixth line: EMAX, EMIN, NEDOS, EFERMI, 1.0
sline = f.next().split()
sline = next(f).split()
self.efermi = float(sline[3])
# TODO: implement output of SYMMCAR in VASP and read it here