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Releases: molssi-seamm/psi4_step

Finalized control over threads & memory.

24 Jul 20:19
1420ce6
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Merge pull request #4 from molssi-seamm/control-options

Filling out the control options for number of threads and memory

Added control of number of threads and memory usage.

23 Jul 21:51
35ee949
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Automated the number of threads and memory usage, with overrides in the config file ~/.seamm/psi4.ini

Added optimization!

23 Jul 11:08
7d651ba
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Merge pull request #2 from molssi-seamm/optimization

Added optimization substep.

Initial working version

22 Jul 00:09
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Pre-release
2020.7.0

Fixed Sphinx conf.py by removing Napolean.