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Projects in Awesome Lists tagged with pseudopotentials
A curated list of projects in awesome lists tagged with pseudopotentials .
https://github.com/f-fathurrahman/pwdft.jl
Plane wave density functional theory using Julia programming language
density-functional-theory electronic-structure julialang planewave-basis pseudopotentials
Last synced: 29 Dec 2024
https://github.com/f-fathurrahman/PWDFT.jl
Plane wave density functional theory using Julia programming language
density-functional-theory electronic-structure julialang planewave-basis pseudopotentials
Last synced: 20 Nov 2024
https://github.com/abinit/pseudo_dojo
Python framework for generating and validating pseudo potentials
ab-initio dft oncvpsp paw pseudopotentials
Last synced: 24 Dec 2024
https://github.com/pierre-24/cp2k-basis
A library to parse CP2K basis sets and GTH pseudopotentials, which also comes with a webserver to find out and select a basis set and its matching pseudopotential for your CP2K calculations.
basis-sets cp2k pseudopotentials
Last synced: 10 Nov 2024
https://github.com/huangli712/apawlib
Projector Augmented Wave Dataset For Actinides
actinides dataset projector-augmented-wave pseudopotentials
Last synced: 24 Nov 2024
https://github.com/mineralscloud/pseudopotentials.jl
A Julia package that provides operations of a database with pseudopotential datasets
ab-initio-simulations database julia-package pseudopotentials quantum-espresso
Last synced: 29 Nov 2024
