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@psi4

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

    C++ 487 290

  2. Databases and Interoperability in Quantum Chemistry

    Python 11 5

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

    Python 1

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

    Python 74 42

1,079 contributions in the last year

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Contribution activity

November 2020

Created a pull request in psi4/psi4 that received 8 comments

auto apply fix_com when needed, qcschema smoke tests

Description Repercussions from trying to fix #1986 . I think this fixes #1939, fixes #1978, fixes #2011 Todos standardize pytests on @using("<add…

+1,221 −227 8 comments
Opened 12 other pull requests in 5 repositories
psi4/psicode-hugo-website
7 merged
psi4/psi4
1 open 1 merged
edeprince3/v2rdm_casscf
1 open
DEShawResearch/sns-mp2
1 open
PCMSolver/pcmsolver
1 merged
2 contributions in private repositories Nov 27

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