lennardJonesACoeff

%FORMAT(5E16.8) (CN1(i), i=1,NTYPES*(NTYPES+1)/2) CN1 : Lennard Jones r*12 terms for all possible atom type interactions, indexed by ICO and IAC; for atom i and j where i < j, the index into this array is as follows (assuming the value of ICO(index) is positive): CN1(ICO(NTYPES(IAC(i)-1)+IAC(j))).