Pinned Repositories
arcdocs.github.io
ARC Documentation Jupyter Book repository
pdielec-feedstock
A conda-smithy repository for pdielec.
phoeniks
A free and open-source (FOSS) Python class to exctract the refractive index and absorption coefficient from time traces of a THz Time Domain Spectrometer (THz-TDS).
TutorialAtomate2Forcefields
Tutorial to learn basic features of atomate2
Useful_Notebooks
A selection if Useful Jupyter notebooks focussing on THz spectroscopy and DFT Calculations
pdielec-feedstock
A conda-smithy repository for pdielec.
PDielec
PDielec is a Python package for post-processing solid state QM and MM calculations of Infrared Spectra
ADBurnett's Repositories
ADBurnett/arcdocs.github.io
ARC Documentation Jupyter Book repository
ADBurnett/pdielec-feedstock
A conda-smithy repository for pdielec.
ADBurnett/phoeniks
A free and open-source (FOSS) Python class to exctract the refractive index and absorption coefficient from time traces of a THz Time Domain Spectrometer (THz-TDS).
ADBurnett/TutorialAtomate2Forcefields
Tutorial to learn basic features of atomate2
ADBurnett/Useful_Notebooks
A selection if Useful Jupyter notebooks focussing on THz spectroscopy and DFT Calculations