Alternatives and similar repositories for OpenOrbitalOptimizer:

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

• sunqm / pbchf
  An example to implement PBC SCF
  ☆13Updated 6 years ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆20Updated 2 years 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 last week
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated last month
• xubwa / socutils
  ☆11Updated last month
• robashaw / libecpint
  A C++ library for the efficient evaluation of integrals over effective core potentials.
  ☆28Updated 9 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated this week
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆15Updated last year
• edeprince3 / v2rdm_casscf
  A variational 2-RDM-driven CASSCF plugin to Psi4
  ☆10Updated 4 years ago
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆10Updated 3 years ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆9Updated 5 months ago
• TREX-CoE / qmcchem2
  QMC=Chem version 2
  ☆19Updated last week
• jparkhill / RealtimePySCF
  Realtime Extensions to PySCF (TDDFT etc.)
  ☆11Updated 7 years ago
• psi-rking / optking
  optking: A molecular geometry optimization program
  ☆23Updated last month
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆22Updated 2 years ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated 8 months ago
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 5 years ago
• sokolov-group / prism
  Python-based implementation of electronic structure theories for simulating spectroscopic properties
  ☆12Updated this week
• piecuch-group / cct3
  CCT3: A PSI4 plugin which performs active-space coupled-cluster CCSDt calculations and which can determine non-iterative corrections to C…
  ☆13Updated last year
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆15Updated this week
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆28Updated last year
• ZhaoYilin / moha
  MOHA: MOlecular HAmiltonian
  ☆15Updated last year
• eriksen-lab / decodense
  decodense: Bond- and atom-wise decompositions of HF and KS-DFT calculations
  ☆10Updated 4 months ago
• xsligroup / chronusq_public
  The public repository of the Chronus Quantum (ChronusQ) Software Package
  ☆12Updated 2 months ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆34Updated last week
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆46Updated 9 months ago
• kgururangan / Quantum-Chemistry
  Collection of codes used for quantum chemistry calculations, including Hartree-Fock, Coupled Cluster (CCSD), EOMCC, and other various thi…
  ☆16Updated 3 years ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆15Updated 7 months ago
• BoothGroup / dyson
  Dyson equation solvers for electron propagator methods
  ☆10Updated this week