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  1. qmcpack qmcpack Public

    Forked from QMCPACK/qmcpack

    Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

    C++

  2. quantum_package quantum_package Public

    Forked from LCPQ/quantum_package

    Set of quantum chemistry programs and libraries

    Fortran

  3. pseudopotentiallibrary pseudopotentiallibrary Public

    Forked from QMCPACK/pseudopotentiallibrary

    Repository for PseudopotentialLibrary.org website and database

    PHP

  4. miniqmc miniqmc Public

    Forked from QMCPACK/miniqmc

    QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experiments

    C++

  5. nexus_training nexus_training Public

    Forked from QMCPACK/nexus_training

    Collection of training material for Nexus development and use

    Python

  6. rmgdft rmgdft Public

    Forked from RMGDFT/rmgdft

    RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.

    C++

134 contributions in the last year

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Contribution activity

March 2025

Created 1 commit in 1 repository

Created a pull request in QMCPACK/qmcpack that received 3 comments

[FYI] Dipole moment estimator

Proposed changes Add a dipole moment estimator for the batched code. Molecules only. What type(s) of changes does this code introduce? New feature …

+317 −1 lines changed 3 comments
Opened 1 other pull request in 1 repository
QMCPACK/qmcpack 1 merged
Reviewed 1 pull request in 1 repository
QMCPACK/qmcpack 1 pull request
Opened 1 issue in 1 repository
QMCPACK/qmcpack 1 open
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