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Releases: openmopac/mopactools

mopactools version 0.1.3

29 Oct 04:02
99cae35

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Another version bump update to fix a few more API bugs in MOPAC (correct switching between RHF and UHF calculations).

mopactools version 0.1.2

25 Oct 19:26
59b3dc2

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Update to fix a few API bugs in MOPAC.

mopactools version 0.1.1

01 Oct 14:46
a9ecf13

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This patch adds a check and minimum requirement for the version of the MOPAC shared library. Also, I'm updating the packaged version of MOPAC for the PyPI distribution to fix some bugs that were affecting the API. In the future, any MOPAC updates that affect the API will be followed by mopactools releases to update the minimum version requirements and the PyPI distribution.

mopactools version 0.1.0

19 Feb 22:00

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This is the first release of mopactools, with a functioning Python wrapper for the MOPAC API that is passing preliminary tests and has preliminary documentation. This release also coincides with the beginning of distribution on PyPI, and upcoming releases will expand distribution to conda-forge.