Alternatives and similar repositories for DoNOFsw

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

• xubwa / socutils
  ☆13Updated 3 weeks ago
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated 4 months ago
• TREX-CoE / trexio_tools
  Set of tools for trexio files
  ☆19Updated 3 weeks ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆17Updated last year
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆30Updated this week
• 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
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated last year
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆18Updated this week
• SinaMostafanejad / OpenRDM
  An open-source library for reduced-density matrix-based analysis and computation
  ☆20Updated 2 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆24Updated 5 months ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆37Updated last month
• TREX-CoE / qmcchem2
  QMC=Chem version 2
  ☆19Updated 2 weeks ago
• hgaburton / libgnme
  A C++ library for evaluating non-orthogonal matrix elements in electronic structure
  ☆27Updated 9 months ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆15Updated 2 months ago
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆19Updated 2 months ago
• xsligroup / chronusq_public
  The public repository of the Chronus Quantum (ChronusQ) Software Package
  ☆18Updated 3 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆33Updated 3 weeks ago
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆22Updated last week
• jparkhill / RealtimePySCF
  Realtime Extensions to PySCF (TDDFT etc.)
  ☆11Updated 8 years ago
• mickcollins / SMFAPAC
  systematic molecular fragmentation by annihilation
  ☆11Updated 6 years ago
• edeprince3 / v2rdm_casscf
  A variational 2-RDM-driven CASSCF plugin to Psi4
  ☆11Updated 4 years ago
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆23Updated 3 years ago
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated this week
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆13Updated 2 weeks ago
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆21Updated this week
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆38Updated last month
• pwborthwick / harpy
  Hartree-Fock Python
  ☆20Updated 2 years ago
• BoothGroup / dyson
  Dyson equation solvers for Green's function methods
  ☆10Updated 2 weeks ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆29Updated 3 months ago