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Pinned repositories

  1. next_steps_in_programming

    Ideas on some improvements in programming, focused on scientific applications.

    Jupyter Notebook 3

  2. multitevo

    Translation of Mantevo mini-apps into other languages

    Python 2 1

  3. QMCPACK/qmc_algorithms

    Scripts and supporting material to validate QMC codes

    Jupyter Notebook 2 4

  4. qmcpack

    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++

  5. small_molecules

    Input files for quantum chemistry packages

    Python

665 contributions in the last year

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Contribution activity

January 2019

Created an issue in QMCPACK/qmcpack that received 3 comments

Machine-readable output file

There are several areas that would benefit from machine-readable output that is separate from the human-readable output. metadata for estimator po…

3 comments

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