Alternatives and similar repositories for chronusq_public

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

• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆24Updated last month
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆20Updated 8 months ago
• jparkhill / RealtimePySCF
  Realtime Extensions to PySCF (TDDFT etc.)
  ☆11Updated 7 years ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆30Updated 2 years ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated 2 weeks ago
• TREX-CoE / qmcchem2
  QMC=Chem version 2
  ☆19Updated 3 weeks ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years ago
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆16Updated last year
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated 2 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆52Updated last month
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated this week
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 7 years ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆17Updated last week
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆28Updated this week
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆22Updated 3 months ago
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆15Updated last year
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated 5 months ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆43Updated 2 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 2 weeks ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆36Updated this week
• xubwa / socutils
  ☆13Updated last month
• evangelistalab / forte
  ☆58Updated last month
• TREX-CoE / trexio
  TREX I/O library
  ☆55Updated this week
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated last year
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated last year
• qcserenity / serenity
  The release-only repository of the subsystem focused quantum chemistry code Serenity
  ☆35Updated 3 months ago
• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆16Updated 2 years ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆23Updated 2 years ago
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆18Updated 2 months ago