Repositories list

• Rusty-FITPACK

  Public
  1D spline interpolation

  Rust

  •

  GNU General Public License v3.0

  •5•5•1•0•Updated Aug 21, 2024Aug 21, 2024

• python_for_chemists_ss24

  Public
  Jupyter Notebook

  •0•0•0•0•Updated Aug 14, 2024Aug 14, 2024

• FMO_LC_TDDFTB_strong_light_matter_coupling

  Public
  GNU General Public License v3.0

  •0•0•0•0•Updated Jul 29, 2024Jul 29, 2024

• programming_tc_ss24

  Public
  Python

  •0•0•0•0•Updated Jul 11, 2024Jul 11, 2024

• DATA_NAMD_Ehrenfest_FMO_LC_TDDFTB

  Public
  0•0•0•0•Updated Apr 22, 2024Apr 22, 2024

• Data_for_Cyclobutanone

  Public
  Python

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Jan 14, 2024Jan 14, 2024

• HORTENSIA_LATEST

  Public
  Python

  •

  MIT License

  •0•1•0•0•Updated Jul 10, 2023Jul 10, 2023

• Data_for_FMO-LC-TDDFTB

  Public
  Data files for the paper "Long-range corrected fragment molecular orbital density functional tight-binding method for excited states in large molecular systems"

  GNU General Public License v3.0

  •0•2•0•0•Updated Jan 30, 2023Jan 30, 2023

• tincr

  Public
  Rust

  •

  GNU General Public License v3.0

  •1•1•0•0•Updated Sep 27, 2022Sep 27, 2022

• QBlend

  Public
  Python

  •

  GNU General Public License v3.0

  •0•1•0•0•Updated Jul 31, 2021Jul 31, 2021

• NEB

  Public
  Optimize a reaction path using the nudged elastic band algorithm

  Python

  •

  GNU Lesser General Public License v3.0

  •1•1•0•0•Updated Feb 23, 2021Feb 23, 2021