Projects in Awesome Lists tagged with pseudopotential
A curated list of projects in awesome lists tagged with pseudopotential .
https://github.com/electronic-structure/SIRIUS
Domain specific library for electronic structure calculations
cuda density-functional-theory electronic-structure-calculations full-potential gpu lapw mpi planewave pseudopotential rocm
Last synced: 20 Nov 2024
https://github.com/azadoks/pseudopotentialio.jl
Support for reading and using pseudopotentials in Julia
ab-initio computational-chemistry density-functional-theory electronic-structure materials-science pseudopotential
Last synced: 16 Mar 2025
https://github.com/aromanro/empiricalpseudopotential
Band structure computation using empirical pseudopotentials
band-structure chart computational-physics condensed-matter eigen empirical-pseudopotentials physics pseudopotential solid-state-physics vtk vtk-applications wxwidgets
Last synced: 18 Mar 2025
https://github.com/unkcpz/pseudopotentialgenerator.jl
Solve atomic Schrödinger equation and pseudizing to generate pseudo-potential for plane-wave DFT.
dft julia physics pseudopotential
Last synced: 19 Feb 2025
https://github.com/nsakan972/upf_routines
Routines for parsing Quantuum espresso Unified Pseudopotential Format perfected with help of codeium.
computational-physics cpp physics pseudopotential quantum-espresso scientific-computing
Last synced: 23 Apr 2025
