From 73e338d5aa5cf5b64e491114d80dbb925951d1c4 Mon Sep 17 00:00:00 2001 From: edoapra Date: Mon, 28 Feb 2022 19:18:19 -0800 Subject: [PATCH] website and version update [ci skip] --- contrib/quasar/export_chem_library_yaml.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/contrib/quasar/export_chem_library_yaml.py b/contrib/quasar/export_chem_library_yaml.py index db1df3a4f5..9a45233ef8 100644 --- a/contrib/quasar/export_chem_library_yaml.py +++ b/contrib/quasar/export_chem_library_yaml.py @@ -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