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Popular repositories Loading

  1. rigid-press rigid-press Public

    Geometry optimization of molecular crystals in a rigid-body approximation

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  2. godotalgorithm.github.io godotalgorithm.github.io Public

    Modern Atomism Blog

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  3. sparse-pseudo-diag sparse-pseudo-diag Public

    Simple reference implementation of sparse pseudo-diagonalization

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  4. qm_project_sss2019 qm_project_sss2019 Public

    QM project used at the 2019 MolSSI Software Summer School

    Python

  5. eigen-mini-app eigen-mini-app Public

    Full-to-banded transformation mini-app for OLCF GPU Hackathon

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  6. cmake-basics cmake-basics Public

    A basic CMake example for the 2020 MolSSI winter bootcamp

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