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- Hamilton, ON, Canada
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theochem/chemtools
theochem/chemtools PublicA collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
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theochem/procrustes
theochem/procrustes PublicPython library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
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theochem/AtomDB
theochem/AtomDB PublicAn Extended Periodic Table of Neutral and Charged Atomic Species
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theochem/matrix-permanent
theochem/matrix-permanent PublicEvaluates the permanent of a (possibly rectangular) matrix
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theochem/PyCI
theochem/PyCI PublicA flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.
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Activity overview
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Contribution activity
March 2025
Created 2 commits in 1 repository
Created a pull request in theochem/PyCI that received 12 comments
Add option to use 64-bit rapidhash for MacOS build
Uses 64-bit rapidhash implementation instead of 128-bit spookyhash. For playing around on a Mac laptop, this should be fine. Sets up spookyhash or …
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