https://github.com/pfloos/QuAcK

QuAcK: a software for emerging quantum electronic structure methods

computational-chemistry coupled-cluster density-functional-theory electronic-structure electronic-structure-calculations greens-functions hartree-fock many-body-perturbation-theory n-body-problem perturbation-theory quantum-chemistry quantum-chemistry-methods quantum-chemistry-packages quantum-chemistry-programs quantum-mechanics

Last synced: 20 Nov 2024

https://github.com/pulkin/cc-diagrams

Automatic diagram and code generation of quantum chemistry coupled-cluster equations

cc-diagrams ccsd ccsdt ccsdtq coupled-cluster diagrams electronic-structure physics pyscf quantum-chemistry

Last synced: 13 Apr 2025

https://github.com/alejandrogallo/sisi4s

Massively parallel electronic structure code for experimentation

ccsd ccsdt coupled-cluster ctf einstein-notation eomcc hartree-fock libint mp2 nwchem quantum-chemistry rpa tensor-algebra turbomole vasp

Last synced: 13 Apr 2025

https://github.com/alejandrogallo/atrip

High Performance library for the CCSD(T) algorithm in quantum chemistry

asynchronous-programming coupled-cluster cuda literate-programming mpi quantum-chemistry

Last synced: 13 Apr 2025

https://github.com/alejandrogallo/dgemm-benchmark

coupled-cluster dgemm quantum-chemistry

Last synced: 21 Mar 2025

https://github.com/alejandrogallo/cc4s.vim

vim package for cc4s

coupled-cluster ctf-framework electronic-structure quantum-chemistry

Last synced: 21 Mar 2025

https://github.com/alejandrogallo/cc4s-raku

computational-chemistry coupled-cluster dsl perl6 perl6-module quantum-chemistry raku

Last synced: 09 Apr 2025