Towards alpha-2 release [WIP]

lsmo-epfl / aiida-lsmo

AiiDA workflows for the LSMO laboratory at EPFL

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Towards alpha-2 release [WIP] #20

Closed danieleongari closed 4 years ago

danieleongari commented 4 years ago

improved working-capacity calcfunctions
collected more FF parameters
improved docs

danieleongari commented 4 years ago

@yakutovicha I found a problem that was making the Isotherm work chain fail in alpha-1. Please, try to include a few examples in the test and see if it now works.