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website and version update [ci skip]

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edoapra 2022-02-28 19:18:19 -08:00
parent b499073079
commit 73e338d5aa
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1 changed files with 2 additions and 2 deletions
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4
contrib/quasar/export_chem_library_yaml.py
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@ -35,9 +35,9 @@ def is_float(str):
def extract_fields():
data = {} #yaml.load(initial_input)
data['format'] = {'version' : '0.1'}
data['bibliography'] = [{'url' : 'https://www.nwchem-sw.org'}]
data['bibliography'] = [{'url' : 'https://nwchemgit.github.io'}]
data['generator'] = {'source' : 'nwchem',
'version' : '6.8'}
'version' : '7.0.2'}
skip_input_geometry = False
geometry = None
coulomb_repulsion = None