Alternatives and similar repositories for HartreeFock:

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

• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated 10 months ago
• aromanro / DFTAtom
  Density Functional Theory in real space, for atoms, LDA and LSDA
  ☆28Updated last year
• RMeli / Hartree-Fock
  Solution of Hartree-Fock equations within Pople's STO-3G basis set
  ☆36Updated 6 years ago
• i-pi / pimd-mooc
  Interactive tutorials for the PIMD Massive Open Online Course
  ☆22Updated last year
• blevine37 / pySpawn17
  A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations
  ☆23Updated 2 months ago
• Quantum-Dynamics-Hub / libra-code
  ☆52Updated this week
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆73Updated 2 months ago
• erikkjellgren / SlowQuant
  ☆43Updated last week
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆38Updated 3 weeks ago
• skmin-lab / unixmd
  ☆20Updated last month
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆24Updated 3 weeks ago
• CCQC / summer-program
  Repository for all summer program related programs
  ☆45Updated last year
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆36Updated last year
• evangelistalab / forte
  ☆57Updated this week
• sunqm / pbchf
  An example to implement PBC SCF
  ☆14Updated 6 years ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆47Updated 6 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆28Updated last year
• zhendongli2008 / Lecture-Notes-On-Quantum-Chemistry
  Quantum Chemistry Course @ BNU2021
  ☆22Updated 2 years ago
• sunqm / py-qc-book
  ☆26Updated 6 months ago
• hema-ted / pycdft
  ☆31Updated 4 years ago
• lanl / NEXMD
  ☆29Updated last year
• smparker / mudslide
  Python implementation of Tully's Fewest Switches Surface Hopping
  ☆18Updated 6 months ago
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆22Updated last year
• MatthewRHermes / mrh
  MRH's research code
  ☆23Updated this week
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆21Updated 4 months ago
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆30Updated 3 weeks ago
• CrawfordGroup / pycc
  PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
  ☆46Updated 9 months ago
• stochasticGW / stochasticGW
  Open-source stochastic GW software
  ☆13Updated last year
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago