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This reverts commit 1ee3ec1.
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All tests pass minus a GROMACS one (unrelated), merging. |
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There are still precision issues but I don't know why. Here are the results when I ran them locally: |
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As discussed via chat, this issue is compiler-related (or architecture, in the case of ARM) |
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The failed tests were probably just due to the local copy of the NAMD repo being out of sync?
Thanks a million to @HanatoK again for taking the time to fix the regression in the NAMD GridForceGrid class.