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Native QCSchema support for Python API #67

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awvwgk opened this issue Feb 24, 2021 · 0 comments · Fixed by #70
Closed

Native QCSchema support for Python API #67

awvwgk opened this issue Feb 24, 2021 · 0 comments · Fixed by #70
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Python Affects the Python side of this project
Milestone
v3.1.0

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@awvwgk
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awvwgk commented Feb 24, 2021

Implement native QCSchema support for the new CFFI Python API of dftd4

A similar implementation is available in the xtb Python API and can be easily adapted:
https://github.com/grimme-lab/xtb-python/blob/master/xtb/qcschema/harness.py
@awvwgk awvwgk added the Python Affects the Python side of this project label Feb 24, 2021
This was referenced Feb 25, 2021
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@awvwgk awvwgk added this to the v3.1.0 milestone Feb 27, 2021
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Python Affects the Python side of this project
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Enable native support for QCSchema input awvwgk/dftd4
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