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Commit 80ba04a8 authored by Adam Fekete's avatar Adam Fekete
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utf8 issue

parent 5eddb31c
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# encoding=utf8
import setup_paths
import logging
......@@ -108,32 +107,7 @@ class LammpsTrjParserContext(object):
def onClose_section_dos(self, backend, gIndex, section):
"""Trigger called when section_dos is closed.
Store the parsed values and write them if writeMetaData is True.
"""
# extract energies
dos_energies = section['fhi_aims_dos_energy']
if dos_energies is not None:
pass
# self.dos_energies = np.asarray(dos_energies)
# extract dos values
dos_values = []
if section['fhi_aims_dos_value_string'] is not None:
for string in section['fhi_aims_dos_value_string']:
strings = string.split()
dos_values.append(map(float, strings))
if dos_values:
# need to transpose array since its shape is [number_of_spin_channels,n_dos_values] in the metadata
pass
# self.dos_values = np.transpose(np.asarray(dos_values))
# write metadata only if values were found for both quantities
if self.writeMetaData:
if dos_energies is not None and dos_values:
pass
# backend.addArrayValues('dos_energies', self.dos_energies)
# backend.addArrayValues('dos_values', self.dos_values)
def onClose_section_run(self, backend, gIndex, section):
......
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