Alternatives and similar repositories for pseudopotentiallibrary

Users that are interested in pseudopotentiallibrary are comparing it to the libraries listed below

• TREX-CoE / trexio_tools
  Set of tools for trexio files
  ☆19Updated 3 months ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated last week
• TREX-CoE / qmcchem2
  QMC=Chem version 2
  ☆19Updated 2 months ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆16Updated 10 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆29Updated 2 years ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆25Updated 2 weeks ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated 3 weeks ago
• xubwa / socutils
  ☆13Updated 2 weeks ago
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆19Updated 3 weeks ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆17Updated this week
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆36Updated 2 years ago
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated last month
• xsligroup / chronusq_public
  The public repository of the Chronus Quantum (ChronusQ) Software Package
  ☆15Updated 2 months ago
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆22Updated last month
• sanshar / Dice
  ☆52Updated last week
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated last month
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• sissaschool / turborvb
  Quantum Monte Carlo package, TurboRVB
  ☆29Updated 3 months ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆40Updated last month
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆23Updated last month
• TREX-CoE / trexio
  TREX I/O library
  ☆51Updated this week
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated 11 months ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 4 months ago
• ak-ustutt / GeCCo-public
  public version of our general contraction code project
  ☆11Updated last month
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated 4 months ago
• TRIQS / solid_dmft
  solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
  ☆35Updated last week
• nmayhall-vt / FermiCG
  ☆11Updated 9 months ago
• lkwagner / StochasticSchool
  Materials used in a school on QMC methods
  ☆26Updated 5 years ago