Ecosyste.ms: Awesome
An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with tddft
A curated list of projects in awesome lists tagged with tddft .
https://github.com/llnl/qball
Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.
c-plus-plus cpp dft molecular-dynamics mpi qbox simulation tddft
Last synced: 11 Nov 2024
https://github.com/molgw/molgw
Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters
bethe-salpeter dft fortran greens-functions hartree-fock molecule mpi quantum-mechanics scalapack tddft
Last synced: 09 Oct 2024
https://github.com/dceresoli/ce-tddft
Real-time TDDFT for Quantum-Espresso
dft fortran quantum-dynamics quantum-espresso quantum-mechanics tddft
Last synced: 20 Nov 2024
https://github.com/pwborthwick/kspy-tddft
Time Dependent DFT in Tamm-Dancoff Approximation
density-functional-theory tamm-dancoff tddft
Last synced: 20 Nov 2024
https://github.com/sheepforce/exckel
creating summaries from excited state calculations from different QC software
chemistry haskell-application quantum-chemistry tddft wrapper
Last synced: 14 Nov 2024
