Casper Steinmann's repositories
tabulated-spectra
Tabulated spectra from the scientific litterature
blogsamples
code samples from the blog
GB-GA_docking_supporting_information
Supporting information for our GB-GA work
mpi_examples
Examples of MPI
dalton-scripts
Useful (homemade) scripts for Dalton
fmo-ie-analyzer
GUI for analyzing FMO interaction energies.
megawordsmemoryconverter
Tiny python script to convert between megawords and megabytes
molecularrotations
A tiny framework for rotations
loprop2mpprop
A converter from DALTON LoProp calculations to MpProp files
ringcurrent
An implementation of ring current effects on protein backbone amide protons