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Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: Galaxy BrainAchievement: Pull Sharkx3Achievement: Arctic Code Vault ContributorAchievement: Starstruck

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  1. erkale Public

    ERKALE -- HF/DFT from Hel

    C++ 48 16

  2. clusterdec Public

    Cluster decomposition

    C++ 1

  3. x2dhf/x2dhf Public

    Two-Dimensional Finite Difference Hartree-Fock Program

    Fortran 13 11

  4. HelFEM Public

    Finite element methods for electronic structure calculations on small systems

    C++ 35 11

221 contributions in the last year

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Contribution activity

March 2025

Created 40 commits in 4 repositories
Created 1 repository

Created a pull request in xsligroup/chronusq_public that received 2 comments

Add sanity check in GauXC interface

We started going through the GauXC interface, looking at the ChronusQ interface as an example. I noted that a sanity check was missing for the numb…

+2 −0 lines changed • 2 comments
Opened 6 other pull requests in 4 repositories
Reviewed 2 pull requests in 2 repositories

Created an issue in pyscf/pyscf that received 2 comments

[BUG REPORT] Test failures in Fedora

Reading #1123, I realized I had not enabled tests in the Fedora packages of PySCF. A scratch build on Fedora rawhide is on https://koji.fedoraproje…

2 comments
Opened 1 other issue in 1 repository
MolSSI-BSE/basis_set_exchange 1 open
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