Argument Definitions (+ indicates altered content) INTEGER I1
Description Copyright (C) 1978 Charlotte Froese Fisher Copyright (C) 2012 Jacek Kobus de solves the differential equation for the function P/r2 of the orbital i-th
Source file: de.f
I/O Operations: Unit ID Unit No Access Form Operation OUC SEQ FMTD W Operation codes A=rewind,B=backspace,C=close,E=endfile I=inquire,O=open,R=read,W=write
Intrinsic Functions Called GENERIC*8 ABS, SQRT
External Functions and Subroutines Called INTEGER MMAX REAL*8 EMAX, QUAD, QUADR SUBROUTINE GRANGE, METHOD, ORTHOG, YKF
Parameter Variables Used INTEGER MAXNO (MAXNO = 29999) INTEGER MAXORB (MAXORB = 20)
Local Variables (+ indicates altered content) CHARACTER*2 +ASTER(3) INTEGER +I, +J, +J1, +J2 INTEGER +JJ REAL*8 +C, +CD, +D, +DIFF REAL*8 +DP, +ED1, +ED2, +PN REAL*8 +PNN
Referenced Common Block Variables (+ indicates altered content) COEFF REAL*8 A(MAXORB,MAXORB,5) INOUT INTEGER OUC LABEL CHARACTER*4 EL(MAXORB) MCOMMBLOCK INTEGER L(MAXORB) MCOMMBLOCK INTEGER +MAXV(MAXORB) MCOMMBLOCK INTEGER N(MAXORB) MCOMMBLOCK REAL*8 +P(MAXORB,MAXNO) MCOMMBLOCK REAL*8 R2(MAXNO) MCOMMBLOCK REAL*8 +Y(MAXORB,MAXNO) MCOMMBLOCK REAL*8 YK(MAXNO) PARAM INTEGER IB, NO PARAM INTEGER NWF PARAM0 INTEGER IONE, IZERO PARAM1 REAL*8 D0, D1 PARAM1 REAL*8 D2, D3 PARAM1 REAL*8 D4, D5 REL INTEGER IREL TEMP2 INTEGER +KK, +M TEMP2 INTEGER NJ, +NODE TEMP2 REAL*8 +AZZ TEST LOGICAL*1 FAIL, OMIT TEST LOGICAL*1 ORTHO WAVE INTEGER +IPR, METH(MAXORB) WAVE REAL*8 +ACC(MAXORB) WAVE REAL*8 +AZ(MAXORB) WAVE REAL*8 +DPM(MAXORB) WAVE REAL*8 E(MAXORB,MAXORB) WAVE REAL*8 +PDE(MAXNO)