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)
  ☆28Updated last year
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated last week
• nickirk / pymes
  PyMES is a package for developing new methods in quantum chemistry.
  ☆12Updated last month
• xubwa / socutils
  ☆11Updated last week
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆36Updated last year
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆35Updated 2 months ago
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆16Updated this week
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆10Updated 11 months ago
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆9Updated 5 months ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 6 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated last month
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆21Updated 5 months ago
• msaitow / SecondQuantizationAlgebra
  Software package to handle the many-fermionic operator
  ☆15Updated 11 years ago
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 6 years ago
• sunqm / py-qc-book
  ☆26Updated 6 months ago
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆10Updated 3 years ago
• sanshar / Dice
  ☆48Updated 2 months ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆16Updated 8 months ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated 9 months ago
• MatthewRHermes / mrh
  MRH's research code
  ☆23Updated this week
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆22Updated last week
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• zhendongli2008 / zmpo_dmrg
  ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
  ☆11Updated 5 years ago
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆14Updated 9 months ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆15Updated this week
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆38Updated 2 weeks ago
• hgaburton / libgnme
  A C++ library for evaluating non-orthogonal matrix elements in electronic structure
  ☆24Updated last month
• sissaschool / turborvb
  Quantum Monte Carlo package, TurboRVB
  ☆30Updated last month