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Update gromacs.py to pass input edr path in _parse_gmx_energies routine #766

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merged 1 commit into from
Jul 11, 2023
Merged

Update gromacs.py to pass input edr path in _parse_gmx_energies routine #766

merged 1 commit into from
Jul 11, 2023

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pbuslaev
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This is a fix to #765

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codecov bot commented Jul 11, 2023 •
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Codecov Report

Merging #766 (4001bae) into main (281e54e) will decrease coverage by 0.02%.
The diff coverage is 100.00%.

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mattwthompson
mattwthompson approved these changes Jul 11, 2023
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LGTM - thanks for the catch. CI will not completely pass since we don't expose the OpenEye license on forks, but I'll merge once everything passes as I expect to happen.

@mattwthompson mattwthompson merged commit fa57653 into openforcefield:main Jul 11, 2023
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@mattwthompson mattwthompson mattwthompson approved these changes

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@pbuslaev @mattwthompson