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Code Issues Releases Wiki Activity

Fix for issue #32

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This commit is contained in:
Manuel Zingl 2015-03-03 18:43:50 +01:00
parent a24c7869b1
commit 1fbdf8bf38
1 changed files with 4 additions and 3 deletions
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7
python/converters/wien2k_converter.py
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@ -424,9 +424,10 @@ class Wien2kConverter(ConverterTools):
R.readline() R.readline()
lattice_type = R.readline().split()[0] lattice_type = R.readline().split()[0]
R.readline() R.readline()
temp = R.readline().strip().split() temp = R.readline()
lattice_constants = numpy.array([float(t) for t in temp[0:3]]) print temp
lattice_angles = numpy.array([float(t) for t in temp[3:6]]) * numpy.pi / 180.0 lattice_constants = numpy.array([float(temp[0+10*i:10+10*i].strip()) for i in range(3)])
lattice_angles = numpy.array([float(temp[30+10*i:40+10*i].strip()) for i in range(3)]) * numpy.pi / 180.0
things_to_save.extend(['lattice_type', 'lattice_constants', 'lattice_angles']) things_to_save.extend(['lattice_type', 'lattice_constants', 'lattice_angles'])
except IOError: except IOError:
raise "convert_misc_input: reading file %s failed" %self.struct_file raise "convert_misc_input: reading file %s failed" %self.struct_file