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Alvaro Vazquez Mayagoitia / nwchem7-wtest
Educational Community License v2.0Updated -
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A custom python module that includes different functions for data post-processing in CONVERGE.
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Ruijie Zhu / site-specific-chemical-similarity
MIT LicenseCosine distance based method to calculate site specific chemical similarity
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Adrian Pope / DiffractionSpikeFFT
BSD 3-Clause "New" or "Revised" LicenseUpdated -
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Instructions and code for building and performance testing HDF5 optimizations across various architectures.
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