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  • Georgia Tech

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Arctic Code Vault Contributor

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Arctic Code Vault Contributor

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@psi4
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Pinned

  1. psi4/psi4 Public

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++ 693 360

  2. qcdb Public

    Databases and Interoperability in Quantum Chemistry

    Python 13 6

  3. pylibefp Public

    python wrapper to I. Kaliman's libefp for effective fragment potentials

    Python 2

  4. MolSSI/QCElemental Public

    Periodic table, physical constants, and molecule parsing for quantum chemistry.

    Python 106 62

1,106 contributions in the last year

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Activity overview
Contributed to psi4/psicode-hugo-website, psi4/psi4, MolSSI/QCEngine and 18 other repositories

Contribution activity

May 2022

Created 35 commits in 3 repositories

Created a pull request in psi4/psi4 that received 169 comments

Refactor Recursive Driver Into Distributed Driver, Again

Description Change the Psi4 driver from being recursive to being based on compute classes that have planning, computing and querying functions. The…

+152,125 −2,947 • 169 comments
Opened 3 other pull requests in 1 repository
psi4/psi4 2 merged 1 closed
Reviewed 11 pull requests in 1 repository
Opened 2 issues in 1 repository

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