Alternatives and similar repositories for qcmath

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

• rquintero-88 / eomccgen
  Automatic equation of motion coupled cluster generator
  ☆16Updated last year
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆31Updated 3 years ago
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆41Updated last month
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆34Updated 2 weeks ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆36Updated last week
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 2 years ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆36Updated 2 years ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆30Updated 2 years ago
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 5 years ago
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆23Updated last month
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆20Updated last year
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆51Updated 9 months ago
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆12Updated 7 years ago
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆34Updated last week
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆37Updated last month
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆17Updated last week
• wasserman-group / n2v
  n2v: Density-to-potential Inversion Suite
  ☆23Updated 2 years ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆18Updated 2 years ago
• CCQC / summer-program
  Repository for all summer program related programs
  ☆45Updated last week
• Quantum-Dynamics-Hub / libra-code
  ☆52Updated this week
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆82Updated last year
• tatsushi-ikeda / pyheom
  PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory
  ☆15Updated 2 years ago
• TRIQS / solid_dmft
  solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
  ☆35Updated 2 weeks ago
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆34Updated 8 months ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆10Updated 4 months ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆36Updated 5 months ago
• Warlocat / x2camf
  SOC integrals generator with atomic mean field approximation
  ☆10Updated last month
• sanshar / Dice
  ☆53Updated last month
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆22Updated 2 months ago