#This script is there to remove the average from every component #obtained with the dippol code #The correlation functions that I wanted to study where #f(t) = < delta a(t) . delta m(0) > #where #delta X = X - <X> #Compilation > gfortran -O2 delta.f90 -o delta #Use with one file > delta dippol_1P_iso.dat #Use with sevral files #If you have multiple files, the average will be done over all #the files > delta dippol_1P_iso.dat dippol2.dat dippol3.dat
RemiKhatib/dippol_delta
Script calculating the delta of the dipole moments / polarizabilities from the dippol code
FortranGPL-3.0