abinit / abipy

Open-source library for analyzing the results produced by ABINIT
http://abinit.github.io/abipy
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Update of ion_ioncell_relax_input unit test #246

Closed davidwaroquiers closed 2 years ago

davidwaroquiers commented 2 years ago

Added reference input json files for the ion and ioncell inputs generated by the ion_ioncell_relax_input factory method. Added comparison test between the generated inputs and the reference files.

davidwaroquiers commented 2 years ago

Hi @gmatteo , for the ion_ioncell, there was no reference file. I created them so that I can make sure the refactoring will be without backward incompatibilities.

davidwaroquiers commented 2 years ago

Hi @gmatteo Any remarks/comments on this PR ? Thx

gmatteo commented 2 years ago

Thanks for the new tests. I'm gonna merge this PR.