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lumol-org / lumol

Universal extensible molecular simulation engine
http://lumol.org/
BSD 3-Clause "New" or "Revised" License
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Input cleanup #236

Closed Luthaf closed 6 years ago

Luthaf commented 6 years ago

This PR is a mismatch of cleanup tasks of the input code and test cases. Each commit should be self-contained and explanatory. Each commit/change is open to discussion!

g-bauer commented 6 years ago

Looks good to me, especially that we can cover all cases for potentials within a single file. I merge and rebase #235.

Luthaf commented 6 years ago

thanks!