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
  ☆17Updated 2 years ago
• adc-connect / adcc
  adcc: Seamlessly connect your program to ADC
  ☆38Updated 2 months ago
• QMC-Cornell / shci
  Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)
  ☆33Updated last month
• piecuch-group / ccpy
  Coupled-cluster package written in Python.
  ☆46Updated 3 weeks ago
• theochem / ModelHamiltonian
  Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
  ☆34Updated 2 weeks ago
• jjgoings / McMurchie-Davidson
  do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
  ☆84Updated last year
• BoothGroup / Vayesta
  A Python package for wave function-based quantum embedding
  ☆37Updated 2 weeks ago
• awhite862 / wick
  Symbolic manipulation of operator strings for quantum chemistry
  ☆21Updated 2 years ago
• gkclab / libdmet_preview
  A library of density matrix embedding theory (DMET).
  ☆37Updated 10 months ago
• cc4s / cc4s
  Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s
  ☆23Updated last month
• hongzhouye / ccgto
  Correlation consistent Gaussian basis sets for solids
  ☆24Updated 6 months ago
• zhendongli2008 / qcmpodmrg
  An MPO-based DMRG code for Quantum Chemistry
  ☆13Updated 7 years ago
• sokolov-group / prism
  Python implementation of electronic structure theories for simulating spectroscopic properties
  ☆18Updated this week
• sanshar / Dice
  ☆61Updated 5 months ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆20Updated 2 years ago
• fevangelista / Quantum-Chemistry-Foundations
  ☆12Updated 9 months ago
• ZhuGroup-Yale / fcdmft
  Ab initio full cell dynamical mean-field theory (DMFT) and GW+DMFT for solids
  ☆39Updated 2 years ago
• pyscf / mpi4pyscf
  MPI parallelization for PySCF
  ☆34Updated last year
• DoNOF / DoNOFsw
  Donostia Natural Orbital Functional Software
  ☆21Updated last month
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆32Updated 3 years ago
• gayverjr / opencap
  An open source program for the description of metastable electronic states in molecules.
  ☆22Updated 7 months ago
• theochem / gbasis
  Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.
  ☆56Updated 2 months ago
• susilehtola / OpenOrbitalOptimizer
  Open Orbital Optimizer
  ☆32Updated last week
• qcscine / qcmaquis
  Release-only repository for SCINE QCMaquis, the DMRG software from the Reiher group.
  ☆45Updated 2 months ago
• aakunitsa / GW-approximation
  Reference implementation of GW
  ☆13Updated 6 years ago
• QMCPACK / pseudopotentiallibrary
  Repository for PseudopotentialLibrary.org website and database
  ☆15Updated 2 months ago
• theochem / fanpy
  Projectively-optimized geminal and "fancyCI" wavefunctions
  ☆17Updated 3 years ago
• QuantumPackage / qp2
  Quantum Package : a programming environment for wave function methods
  ☆77Updated this week
• hczhai / fci-siso
  State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
  ☆13Updated last month
• pyscf / pyscf-forge
  pyscf-forge is a staging ground for code that may be suitable for pyscf-core
  ☆43Updated 3 weeks ago