Fix issues #215 and #216 #217
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chryswoods
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Dec 8, 2023
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Looks good. I agree that try_import shouldn't be used there. We will eventually need to go through and work out when we do want to use try_import and when we don't. This would be part of a larger bit of work through to make dependencies more modular (or create a "minimal" install). It is a complex problem to tackle though, especially as dependencies of dependencies (especially ML) are getting bigger and ever more interconnected.
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This PR closes #215 and closes #216, fixing issues that were picked up when running the funnel metadynamics tutorial here. The fixes have been tested by running the same tutorial.
develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]Suggested reviewers:
@chryswoods