Fix issues #240 and #246 #247
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I've also added a fix that closes #248. Will let the CI run to check that I haven't missed anything. |
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This is now repeatedly failing when downloading files for a particular test on Windows, which are nothing to do with the latest edits. Will trigger again tomorrow. |
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Yes, it seems that the Windows runner is happy today 🤷♂️ |
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This PR...
closes #240 by using the default Sire extensions for the interchange prmtop and inpcrd files. In particular, this ensures that the coordinate file isn't accidentally detected as an SDF file.
closes #246 by fixing the range of the funnel axis used in the calculation of the correction term.
develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]Suggested reviewers:
@chryswoods