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@thunder-dft

FIREBALL2020 DFT Development Group

This is the group that develops the FIREBALL2020 DFT package. FIREBALL2020 is a complete rewrite of the FIREBALL package that originated in 2000.

Popular repositories

  1. thunder-ase thunder-ase Public

    The interface of ASE for FIREBALL.

    Python 3 1

  2. thunder-master thunder-master Public

    This is the master directory containing all the modules for the FIREBALL codes. All the codes utilize the same modules to maintain input and output consistency between the different codes.

    Fortran 1 4

  3. thunder-fireball thunder-fireball Public

    This is the package that will run fireball.x which does energy and force calculations with molecular dynamics implementations.

    Jupyter Notebook 1 1

  4. thunder-dft.github.io thunder-dft.github.io Public

    These are documentation files on how to build the FIREBALL codes.

    HTML 1

  5. thunder-lightning thunder-lightning Public

    This is the package that will run the lightning.x code which does energy only calculations.

    Jupyter Notebook 2

  6. thunder-lightning-grid thunder-lightning-grid Public

    This is the package that will run the lightning.x code which does energy only calculations using the density on the grid approach.

    Fortran 1

Repositories

Showing 7 of 7 repositories
  • thunder-ase Public

    The interface of ASE for FIREBALL.

    Python 3 1 0 0 Updated May 18, 2024
  • thunder-fireball Public

    This is the package that will run fireball.x which does energy and force calculations with molecular dynamics implementations.

    Jupyter Notebook 1 GPL-3.0 1 1 0 Updated May 1, 2024
  • thunder-master Public

    This is the master directory containing all the modules for the FIREBALL codes. All the codes utilize the same modules to maintain input and output consistency between the different codes.

    Fortran 1 GPL-3.0 4 0 0 Updated Apr 16, 2024
  • thunder-lightning-grid Public

    This is the package that will run the lightning.x code which does energy only calculations using the density on the grid approach.

    Fortran 0 GPL-3.0 1 0 0 Updated Nov 29, 2023
  • thunder-lightning Public

    This is the package that will run the lightning.x code which does energy only calculations.

    Jupyter Notebook 0 GPL-3.0 2 0 0 Updated Nov 29, 2023
  • thunder-doc Public

    Documentation of thunder-dft

    TeX 0 0 0 0 Updated Nov 27, 2023
  • thunder-dft.github.io Public

    These are documentation files on how to build the FIREBALL codes.

    HTML 0 1 0 0 Updated Jun 13, 2023

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