parse the number of valence electrons #575
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jan-janssen
reviewed
Apr 6, 2020
Pull Request Test Coverage Report for Build 4041
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jan-janssen
reviewed
Apr 6, 2020
| log_main = log_file[main_start:] | ||
|
|
||
| self._parse_dict["n_valence"] = {log_file[ii-1].split()[1]:int(ll.split('=')[-1]) |
There was a problem hiding this comment.
self._parse_dict["n_valence"] = {
log_file[ii-1].split()[1]:int(ll.split('=')[-1])
for ii, ll in enumerate(log_file)
if ll.startswith('| Z')
}
jan-janssen
approved these changes
Apr 6, 2020
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I wanted to have the number of valence electrons to analyse the number of empty bands.