Pinned Repositories
dippol
Program calculating dipole moments and polarizabilities based on atomic positions
dippol_delta
Script calculating the delta of the dipole moments / polarizabilities from the dippol code
vvaf
Program calculating some velocity-velocity correlation functions for vibrational spectroscopy
vvaf_FT
Script doing the Fourier transforms of output obtained with the vvaf code
RemiKhatib's Repositories
RemiKhatib/dippol
Program calculating dipole moments and polarizabilities based on atomic positions
RemiKhatib/vvaf
Program calculating some velocity-velocity correlation functions for vibrational spectroscopy
RemiKhatib/dippol_delta
Script calculating the delta of the dipole moments / polarizabilities from the dippol code
RemiKhatib/vvaf_FT
Script doing the Fourier transforms of output obtained with the vvaf code