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aiidateam / aiida-cp2k / 638
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Ran 02 Sep 2020 02:04PM UTC
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Add (optional) support for the AiiDA Gaussian Datatypes (#104)

This PR adds optional support for the Gaussian Datatypes available
in `aiida-gaussian-datatypes` package. User can decide whether to use
the "standard way" of specifying pseudos/basis sets in the input dictionary or
to let the input plugin automatically pick them up from the input nodes. To learn
how to use the new functionality a user might want to have a look in the 
 `examples/gaussian_datatypes` folder.

158 of 158 new or added lines in 3 files covered. (100.0%)

458 of 795 relevant lines covered (57.61%)

0.58 hits per line

New Missed Lines in Diff

Lines Coverage ∆ File
19
100.0
aiida_cp2k/utils/datatype_helpers.py
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ID Job ID Ran Files Coverage
1 638.1 02 Sep 2020 02:04PM UTC 0
57.61
Travis Job 638.1
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