exalearn / ExaMol / 5836524143
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Files 37
Run time 16s
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Add MOPAC (#83)

* Add a new branch of ASE to the environment

Will support MOPAC

* Add support for MOPAC

Changed to a more-robust optimizer while at it

* Add MOPAC to the environment

* Add MOPAC to the documentation

15 of 15 new or added lines in 2 files covered. (100.0%)

1668 of 1695 relevant lines covered (98.41%)

0.98 hits per line

Uncovered Existing Lines

Lines Coverage ∆ File
2
97.65
 -0.94% examol/steer/single.py
Jobs
ID Job ID Ran Files Coverage
1 5836524143.1 37
98.41
Source Files on build 5836524143