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An open API service indexing awesome lists of open source software.
Projects in Awesome Lists tagged with td-dft
A curated list of projects in awesome lists tagged with td-dft .
https://github.com/grimme-lab/stda
stda program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, and SF-sTD-DFT)
computational-chemistry excited-states nonlinear-response quantum-chemistry spin-flip td-dft
Last synced: 03 Dec 2024
https://github.com/radi0sus/orca_uv
Plots absorption spectra from from ORCA output files
computational-chemistry convolution dft gaussian jupyter jupyter-notebook matplotlib orca orca-quantum-chemistry plot python python3 quantum-chemistry spectra spectrum stick-spectrum td-dft uv-vis uvvis
Last synced: 05 Dec 2024
https://github.com/radi0sus/orca_st
Easily transfer selected states from ORCA output files into tables
computational-chemistry dft docx markdown orca orca-quantum-chemistry pandoc python python3 quantum-chemistry spectra spectrum tables td-dft uv-vis uvvis
Last synced: 05 Dec 2024
https://github.com/radi0sus/orca_st-go
Easily transfer selected states from ORCA output files into tables (Go Edition)
computational-chemistry dft go golang markdown orca orca-quantum-chemistry quantum-chemistry spectrum tables td-dft uv-vis uvvis
Last synced: 20 Dec 2024
https://github.com/pierre-24/stdlite
A light-weight sTD-DFT library and runner
computational-chemistry dft-calculations nonlinear-optics std-dft td-dft time-dependent
Last synced: 10 Nov 2024
