Planned maintenance on Wednesday, 2021-01-20, 17:00-18:00. Expect some interruptions during that time

Commit f76455c8 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen

lots of improvements to siesta/smeagol

parent 5c3bcea7
#!/bin/bash
python main.py test/H2O/out --annotate
python main.py test/H2O-relax/out --annotate
python main.py test/Al-bulk/out --annotate
python main.py test/Al-slab/out --annotate
python main.py test/MgO/out --annotate
python main.py test/smeagol-Au-leads/Au.out --annotate
python main.py test/smeagol-Au-scregion/Au.out --annotate
inputvars = [
varlist = [
'Atom-Setup-Only',
'Atom.Debug.KB.Generation',
'AtomCoorFormatOut',
......
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