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TM class for TURBOMOLE interface #90

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marcelmbn opened this issue Nov 28, 2024 · 0 comments · May be fixed by #101
Open

TM class for TURBOMOLE interface #90

marcelmbn opened this issue Nov 28, 2024 · 0 comments · May be fixed by #101
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@jonathan-schoeps
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algorithm Related to the back-end algorithm for generating the mindless molecules.

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@marcelmbn
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Should be a subclass of QMMethod, just like, e.g., ORCA:

https://github.com/grimme-lab/MindlessGen/blob/main/src/mindlessgen/qm/base.py
@marcelmbn marcelmbn added the algorithm Related to the back-end algorithm for generating the mindless molecules. label Nov 28, 2024
@jonathan-schoeps jonathan-schoeps linked a pull request Jan 8, 2025 that will close this issue
Added support for Turbomole #101
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algorithm Related to the back-end algorithm for generating the mindless molecules.
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Added support for Turbomole jonathan-schoeps/MindlessGen
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@marcelmbn @jonathan-schoeps