Alternatives and similar repositories for qmcchem2

Users that are interested in qmcchem2 are comparing it to the libraries listed below

• TREX-CoE / trexio_tools
  Set of tools for trexio files
  ☆19Updated 3 weeks ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆30Updated this week
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆20Updated 3 weeks ago
• jparkhill / RealtimePySCF
  Realtime Extensions to PySCF (TDDFT etc.)
  ☆11Updated 8 years ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆37Updated last month
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆29Updated 3 months ago
• xsligroup / chronusq_public
  The public repository of the Chronus Quantum (ChronusQ) Software Package
  ☆18Updated 3 months ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆38Updated last month
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆15Updated 2 months ago
• TREX-CoE / trexio
  TREX I/O library
  ☆61Updated 2 months ago
• xubwa / socutils
  ☆13Updated 3 weeks ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆12Updated 8 months ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆24Updated 5 months ago
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated this week
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆19Updated 2 months ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆46Updated 3 weeks ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆33Updated 3 weeks ago
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆13Updated 2 weeks ago
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated 4 months ago
• 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
• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆17Updated 2 years ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆18Updated this week
• pwborthwick / harpy
  Hartree-Fock Python
  ☆20Updated 2 years ago
• molgw / molgw
  Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
  ☆45Updated 4 months ago
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 7 years ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆17Updated last year
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆22Updated last week
• evangelistalab / forte
  ☆60Updated 4 months ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated last year