c Dblexp: June 92 c Generalized to arbitrary order Feb 92 c This routine evaluates teh derivative of the embedding function with respect c to its argument (the density). SUBROUTINE DFRHODRHO(rho1,natm1,ipot,fprho) implicit real*8 (a-h,o-z) include 'commonblks/parameters.cmn' include 'commonblks/comconf.cmn' include 'commonblks/compotent.cmn' dimension fprho(MAXATOMS,3),natm1(3),rho1(MAXATOMS,3) c --------------------------------------------------------------- c Interpret parameters in potpar: c gfact=potpar(1,ipot) c ---------------------------------------------------------------- do i = 1,natm1(ipot) sum = potpar(indf1,ipot) do io=2,iorderf sum=sum+potpar(indf1+io-1,ipot)*io*rho1(i,ipot)**(io-1) enddo fprho(i,ipot) = sum + potpar(1,ipot) c potpar(1,ipot) is the g-transformation parameter. end do RETURN END