Integrate openmm into biotite.interface.openmm
#750
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CodSpeed Performance ReportMerging #750 will not alter performanceComparing Summary
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The failing test is fixed in #761. |
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As described in #709, this PR adds an interface to the OpenMM molecular simulation toolkit.
The code is taken and adapted from
biotite-dev/molmarbles. Afther this PR is merged,biotite-dev/molmarbleswill be archived.