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SCM - Software for Chemistry and Materials

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  1. PLAMS PLAMS Public

    Python Library for Automating Molecular Simulations

    Python 67 24

  2. ftl ftl Public

    The Fortran Template Library

    Fortran 114 13

  3. amspipe amspipe Public

    a library that implements the worker side of the AMS pipe protocol

    C++

Repositories

Showing 10 of 11 repositories
  • PLAMS Public

    Python Library for Automating Molecular Simulations

    SCM-NV/PLAMS’s past year of commit activity
    Python 67 24 1 4 Updated Nov 15, 2024
  • json-fortran Public Forked from jacobwilliams/json-fortran

    A Modern Fortran JSON API

    SCM-NV/json-fortran’s past year of commit activity
    Fortran 0 89 0 0 Updated Jul 23, 2024
  • ftl Public

    The Fortran Template Library

    SCM-NV/ftl’s past year of commit activity
    Fortran 114 GPL-3.0 13 7 1 Updated Jul 23, 2024
  • nano-qmflows Public

    Package containing several workflows to compute molecular properties for nanomaterials

    SCM-NV/nano-qmflows’s past year of commit activity
    Python 10 Apache-2.0 10 8 5 Updated Jun 28, 2024
  • pyZacros Public

    Python Library for Automating Zacros Simulations

    SCM-NV/pyZacros’s past year of commit activity
    Python 7 2 0 0 Updated Mar 28, 2024
  • amspipe Public

    a library that implements the worker side of the AMS pipe protocol

    SCM-NV/amspipe’s past year of commit activity
    C++ 0 MIT 0 0 0 Updated Mar 15, 2024
  • qmflows Public

    This library tackles the construction and efficient execution of computational chemistry workflows

    SCM-NV/qmflows’s past year of commit activity
    Python 45 9 1 3 Updated Feb 1, 2024
  • dftd3-lib Public Forked from dftbplus/dftd3-lib

    Library version of S. Grimmes DFTD3 code.

    SCM-NV/dftd3-lib’s past year of commit activity
    Fortran 0 4 0 0 Updated Feb 11, 2019
  • SPGL1_python_port Public Forked from drrelyea/spgl1

    Port of SPGL1 to python

    SCM-NV/SPGL1_python_port’s past year of commit activity
    Python 1 LGPL-2.1 29 0 0 Updated Feb 8, 2018
  • qmflows_examples Public

    Computational chemistry workflow examples using the QMFlows package

    SCM-NV/qmflows_examples’s past year of commit activity
    Python 1 Apache-2.0 0 0 0 Updated Jan 30, 2018
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