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berquist (Eric Berquist) · GitHub
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Eric Berquist berquist
full-stack quantum chemist
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Sandia National Laboratories
- Boston, MA
- @triprotic@mastodon.social
Organizations
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cclib/cclib
cclib/cclib PublicParsers and algorithms for computational chemistry logfiles
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psi4/psi4numpy
psi4/psi4numpy PublicCombining Psi4 and Numpy for education and development.
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pymolresponse
pymolresponse PublicMolecular frequency-dependent response properties for arbitrary operators
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