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C-API version 6.3 #222

Merged
merged 4 commits into from
May 22, 2020
Merged

C-API version 6.3 #222

merged 4 commits into from
May 22, 2020

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awvwgk
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@awvwgk awvwgk commented May 22, 2020

  • direct control over the Fortran objects
  • (almost) thread-safe implementation
  • separated APIs for IO, structure and calculations

closes #76

- direct control over the Fortran objects
- (almost) thread-safe implementation
- separated APIs for IO, structure and calulations
@awvwgk awvwgk added python C-API Concerns the ISO-C layer labels May 22, 2020
@awvwgk awvwgk added this to the v6.3.0 milestone May 22, 2020
@awvwgk awvwgk self-assigned this May 22, 2020
@awvwgk awvwgk merged commit 37ae399 into grimme-lab:master May 22, 2020
@awvwgk awvwgk deleted the api branch May 22, 2020 15:17
@awvwgk awvwgk mentioned this pull request May 22, 2020
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C-API should allow periodic calculations with any method Importing interface.py requires ASE anyway
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