5 projects
TCutility
Utility package for working with AMS/ADF within the Theoretical Chemistry group at the Vrije Universiteit Amsterdam (TheoCheM). Makes use of plams - a package developed by SCM
pyfrag-plotter
Package for plotting pyfrag calculations using the AMS driver and plams
orb-analysis
the package can be used for analysing fragment calculations with the AMS software package
edgenerator
Package for generating energy diagrams from excel files
ed-maker
Basic package
