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

    Python 106 62

1,106 contributions in the last year

May Jun Jul Aug Sep Oct Nov Dec Jan Feb Mar Apr May Mon Wed Fri
Activity overview
Contributed to psi4/psicode-hugo-website, psi4/psi4, MolSSI/QCEngine and 18 other repositories

Contribution activity

May 2022

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
Opened 2 issues in 1 repository

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