Topic: "td-dft"
grimme-lab/std2
std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DFT, and SF-Xs-TD-DFT)
Language: Fortran - Size: 1.36 MB - Last synced at: 5 days ago - Pushed at: 3 months ago - Stars: 42 - Forks: 13
radi0sus/orca_uv
Plots absorption spectra from from ORCA output files
Language: Python - Size: 1.5 MB - Last synced at: about 1 month ago - Pushed at: 7 months ago - Stars: 18 - Forks: 7
twhughes/TD-DFT
Time-dependent density functional theory post-processing scripts for Quantum Espresso & ce-tddft output files
Language: Fortran - Size: 286 KB - Last synced at: about 2 months ago - Pushed at: over 6 years ago - Stars: 7 - Forks: 3
radi0sus/orca_st
Easily transfer selected states from ORCA output files into tables
Language: Python - Size: 16.1 MB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 2 - Forks: 0
radi0sus/orca_st-go
Easily transfer selected states from ORCA output files into tables (Go Edition)
Language: Go - Size: 12.7 KB - Last synced at: about 1 month ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0
pierre-24/stdlite
A light-weight sTD-DFT library and runner
Language: C - Size: 2.03 MB - Last synced at: about 1 year ago - Pushed at: about 1 year ago - Stars: 0 - Forks: 0
