10 projects
molcas-suite
A package for dealing with OpenMOLCAS input and output files
spin-phonon-suite
A package for performing spin-phonon coupling calculations with openMOLCAS, VASP, and Gaussian
angmom-suite
A package for working with phenomenological spin and angular momentum operators
env-suite
A suite of tools for including enviroment effects in first principal calculations
hpc-suite
A package for working with data on HPC platforms
ccfit2
CCFIT2 is a program for fitting AC and DC magnetisation data
gaussian-suite
A package for working with Gaussian input and output files
PyMolVis
A program to visualize, create, and generate high-quality images of molecules.
vasp-suite
A package for creating and handling input files for vasp
symmetry-analysis
A programme for analysing molecular (pseudo)-point group symmetry
