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Published 20 hours ago • verified publisher icon pedrobcst
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XRay Estimation and Refinement Using Similarity (XERUS)

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Change CI to be OS indepedent

As of possible new release (1.1b), we might support all OSes. In light of this, it might be necessary to update the CI to test in all oses. This (hypothetically)...

pedrobcst avatar pedrobcst

core

Deprecate 'tcif.py' and move testing to not be a script

As of PR #24, we do not do test refinements anymore. Since things became much stabler and there is no more errors that breaks and requires a totally script rerunning,...

pedrobcst avatar pedrobcst

core

Any interest in adding the Alexandria database through the optimade api?

When reading the optimade paper I saw a mention of Xerus and was wondering if it might be interesting for you to include the Alexandria database https://alexandria.icams.rub.de/ . It's basically...

JonathanSchmidt1 avatar JonathanSchmidt1

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XRay Estimation and Refinement Using Similarity (XERUS)

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