Argument Definitions (+ indicates altered content) REAL*8 +CENERGY
Description Copyright (C) 1978 Charlotte Froese Fisher Copyright (C) 2012 Jacek Kobus The ecoul subroutine calculates Coulomb contribution to total energy by Simpson's rule FIXME d contribution is missing (this contribution is negligible if small enough values of initial rho are used)
Source file: ecoul.f
External Functions and Subroutines Called SUBROUTINE POTL
Parameter Variables Used INTEGER MAXNO (MAXNO = 29999) INTEGER MAXORB (MAXORB = 20)
Local Variables (+ indicates altered content) INTEGER +I, +JJ, +JP, +M REAL*8 +D
Referenced Common Block Variables (+ indicates altered content) MCOMMBLOCK INTEGER MAXV(MAXORB) MCOMMBLOCK REAL*8 P(MAXORB,MAXNO) MCOMMBLOCK REAL*8 R(MAXNO), RR(MAXNO) MCOMMBLOCK REAL*8 YR(MAXNO) PARAM INTEGER NWF PARAM REAL*8 H1 PARAM1 REAL*8 D0, D2 STATE REAL*8 QC(MAXORB,40)