7 projects
ccfit2
CCFIT2 is a program for fitting AC and DC magnetisation data
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
gaussian-suite
A package for working with Gaussian input and output files
molcas-suite
A package for dealing with OpenMOLCAS input and output files
hpc-suite
A package for working with data on HPC platforms
atom-access
atom_access is a ray tracing package for addressing the steric hindrance of molecules
