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@RMGDFT RMGDFT

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    8 repositories

    • rmgdft

      Public
      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++
      •
      GNU General Public License v2.0
      •11•46•4•1•Updated Nov 8, 2024Nov 8, 2024

    • rmgwebinterface

      Public
      RMG web based input file generator. Click the following link to try. https://share.streamlit.io/rmgdft/rmgwebinterface/main/main.py
      Python
      •
      GNU General Public License v2.0
      •1•4•1•0•Updated Oct 11, 2024Oct 11, 2024

    • rmgwebpostprocess

      Public
      Web interface to plot electonic density of states, charge density, etc. https://share.streamlit.io/rmgdft/rmgwebpostprocess/main.py
      Python
      •1•2•0•0•Updated Sep 30, 2024Sep 30, 2024

    • RMG_GUI

      Public
      Python based GUI configurator for RMG
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jan 26, 2024Jan 26, 2024

    • AFD_5.3

      Public
      Adaptive finite differencing archives for versions 5.2 and 5.3.
      Roff
      •
      GNU General Public License v3.0
      •1•0•0•0•Updated Nov 16, 2023Nov 16, 2023

    • NEGF-User-Interface

      Public
      0•0•0•0•Updated Mar 27, 2023Mar 27, 2023

    • adaptive-finite-differencing

      Public
      Input and output files/data for AFD
      Roff
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Mar 17, 2023Mar 17, 2023

    • spack

      Public
      A flexible package manager that supports multiple versions, configurations, platforms, and compilers.
      Python
      •
      Other
      •2.3k•0•0•0•Updated Jul 13, 2022Jul 13, 2022