Alternatives and similar repositories for psp-converter:

Users that are interested in psp-converter are comparing it to the libraries listed below

• SPARC-X / SPMS-psps
  SPMS table of pseudopotentials
  ☆19Updated 2 years ago
• dcccc / Plane_Wave_DFT
  plane wave basis set density functional thoery code
  ☆19Updated 3 weeks ago
• lab-cosmo / nice
  ☆12Updated last year
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆17Updated last week
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆20Updated 2 months ago
• ifilot / pyqint
  An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…
  ☆31Updated last week
• dceresoli / PStudio
  Pseudopotential Studio
  ☆20Updated 4 years ago
• iDEA-org / iDEA
  interacting Dynamic Electrons Approach
  ☆27Updated 9 months ago
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆22Updated last year
• JuDFTteam / FLEUR
  Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)
  ☆13Updated this week
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆11Updated 3 years ago
• aiidateam / aiida-wannier90-workflows
  A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
  ☆18Updated 2 months ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆23Updated 2 years ago
• ChengUCB / les
  ☆13Updated this week
• aoterodelaroza / refdata
  Benchmark data for density-functional theory method development.
  ☆14Updated 2 months ago
• sekocha / pypolymlp
  Generator of polynomial machine learning potentials
  ☆13Updated this week
• felipelewyee / PyNOF
  ☆14Updated 3 months ago
• ACEsuit / ACEpotentials.jl
  Machine Learning Interatomic Potentials with the Atomic Cluster Expansion
  ☆55Updated 2 weeks ago
• BoothGroup / dyson
  Dyson equation solvers for electron propagator methods
  ☆10Updated 2 weeks ago
• ACEsuit / ACEhamiltonians.jl
  ☆16Updated 5 months ago
• humeniuka / DFTBaby
  software package for tight-binding DFT calculations on ground and excited states of molecules
  ☆9Updated 5 years ago
• QEF / qeschema
  ☆14Updated 11 months ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆16Updated 3 weeks ago
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated 10 months ago
• SPARC-X / M-SPARC
  Matlab Simulation Package for Ab-initio Real-space Calculations
  ☆28Updated 5 months ago
• NASymmetry / MolSym
  I can't believe it's NonAbelian!
  ☆16Updated last month
• aspuru-guzik-group / DiffiQult
  A fully autodifferentiable and variational HF
  ☆41Updated 4 years ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated this week
• igor-1982 / rest
  ☆27Updated 3 months ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated 10 months ago