Alternatives and similar repositories for socutils

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

• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated last month
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆20Updated 8 months ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated 2 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆30Updated 2 years ago
• TREX-CoE / trexio_tools
  Set of tools for trexio files
  ☆19Updated 3 weeks ago
• QMC-Cornell / CHAMP
  Cornell-Holland Ab-initio Materials Package
  ☆16Updated last year
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated 3 weeks ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆17Updated last month
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆11Updated last year
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆15Updated last 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 month
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 7 years ago
• Yang-Laboratory / losc
  Library for local orbital scaling correction (LOSC).
  ☆16Updated last year
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 6 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆28Updated last week
• rohkeaID / elk-w90-improved
  An interface for ELK-Wannier90 calculations
  ☆16Updated 4 years ago
• hgaburton / libgnme
  A C++ library for evaluating non-orthogonal matrix elements in electronic structure
  ☆26Updated 6 months ago
• MatthewRHermes / mrh
  MRH's research code
  ☆25Updated this week
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆22Updated 3 months ago
• sanshar / StackBlock
  ☆11Updated 4 years ago
• TREX-CoE / qmcchem2
  QMC=Chem version 2
  ☆19Updated last month
• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆16Updated 2 years ago
• wangenau / eminus
  Pythonic electronic structure theory.
  ☆18Updated 2 months ago
• wavefunction91 / IntegratorXX
  Reusable DFT Grids for the Masses
  ☆16Updated last year
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆24Updated last week
• BoothGroup / dyson
  Dyson equation solvers for Green's function methods
  ☆10Updated last week
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years ago
• YiHeXu517 / Kylin-V
  TD-DMRG and VHCI package
  ☆10Updated last month
• wavefunction91 / MACIS
  A modern C++ library for high-performance configuration interaction methods
  ☆16Updated last month