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lsmo-epfl / aiida-zeopp

AiiDA plugin for zeo++
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add missing ASA output #49

Closed ezpzbz closed 4 years ago

ezpzbz commented 4 years ago

PR fixes the missing volumetric ASA output, ie. 'ASA_m^2/cm^3'

coveralls commented 4 years ago

Pull Request Test Coverage Report for Build 284

Totals Coverage Status
Change from base Build 282: 0.0%
Covered Lines: 2063
Relevant Lines: 2225
💛 - Coveralls
ltalirz commented 4 years ago

Thanks! let's see what maciek replies

ezpzbz commented 4 years ago

Thanks! let's see what maciek replies

Sure @ltalirz However, this change does not depend on our recent changes on zeo++ and was available in the parser before: https://github.com/ltalirz/aiida-zeopp/blob/11c8b9d966f188ce91fed267858310751aa55b15/aiida_zeopp/parsers/plain.py#L139 and I guess has been removed accidentally.

ltalirz commented 4 years ago

Oops - I thought you were adding something to zeo++, sorry! Thanks for the fix!

ltalirz commented 4 years ago

v1.0.2 on its way (takes a few minutes to finish tests & deploy to PyPI).

ezpzbz commented 4 years ago

I guessed so. Thanks a lot.