Alternatives and similar repositories for ccgto

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

• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆34Updated 3 months ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆37Updated 2 weeks ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 3 years ago
• xubwa / socutils
  ☆13Updated 2 weeks ago
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated 6 months ago
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆23Updated 9 months ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆38Updated last year
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆13Updated 7 years ago
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆13Updated 3 months ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆17Updated last year
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆19Updated this week
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆22Updated 2 weeks ago
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated last week
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆23Updated last week
• msaitow / SecondQuantizationAlgebra
  Software package to handle the many-fermionic operator
  ☆16Updated 12 years ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆30Updated last week
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆38Updated last week
• fevangelista / Quantum-Chemistry-Foundations
  ☆12Updated 11 months ago
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆13Updated last week
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆32Updated 3 years ago
• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆17Updated 2 years ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆39Updated 2 years ago
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆15Updated 4 months ago
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆24Updated 2 months ago
• TRIQS / solid_dmft
  solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
  ☆39Updated last month
• pwborthwick / harpy
  Hartree-Fock Python
  ☆20Updated 3 years ago
• sanshar / Dice
  ☆65Updated 7 months ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆33Updated last week
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆20Updated last week
• jparkhill / RealtimePySCF
  Realtime Extensions to PySCF (TDDFT etc.)
  ☆11Updated 8 years ago