Interfaces for atomistic simulation codes and workflows
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Nov 8, 2025 - Jupyter Notebook
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abinit
Here are 17 public repositories matching this topic...
Open-source library for analyzing the results produced by ABINIT
python science physics density-functional-theory solid-state-physics materials-science materials-informatics abinit
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Oct 24, 2025 - Python
A Python library for electronic structure pre/post-processing
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Nov 8, 2025 - Python
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
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Sep 6, 2025 - Fortran
Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface
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Apr 15, 2025 - C++
Configuration files to configure/compile Abinit
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Mar 5, 2025 - Python
Qt interface for agate: https://github.com/piti-diablotin/agate
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Sep 7, 2024 - C++
A toolbox for quickly build inputs and analyze results of DFT codes
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Aug 23, 2023 - Python
Open source graphical interface to various DFT/Quantum chemistry codes
dft graphical-interface density-functional-theory nwchem quantum-chemistry quantum-espresso abinit exciting feff
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Dec 8, 2022 - Python
Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface
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Dec 29, 2021 - C++
generates xsf-format files from lobster 3D-wavefunctions files
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Nov 12, 2021 - C++
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Nov 11, 2021 - Jupyter Notebook
BandUP: Band Unfolding code for Plane-wave based calculations
python fortran vasp band-structure scientific-computing quantum-espresso abinit band-unfolding plane-wave castep
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Apr 13, 2021 - Fortran
A python code to compute the cumulante expansion of the Green's function for photoemission spectroscopy
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Oct 23, 2019 - Python
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