Pinned Repositories
basis-expansions_local
clbox.github.io
Read_matrices_wrapper
Python wrapper for fortran code that reads in friction matrices outputted from FHI-Aims into coolvib. Contains code from the friction mode of FHI-aims
scripts
ase_local
coolvib
For a detailed documentation see
NQCDynamics.jl
Fast and flexible nonadiabatic molecular dynamics in Julia!
clbox's Repositories
clbox/basis-expansions_local
clbox/clbox.github.io
clbox/Read_matrices_wrapper
Python wrapper for fortran code that reads in friction matrices outputted from FHI-Aims into coolvib. Contains code from the friction mode of FHI-aims
clbox/scripts