Argument Definitions (+ indicates altered content) LOGICAL*1 PRINT
Description Copyright (C) 1978 Charlotte Froese Fisher Copyright (C) 2012 Jacek Kobus The output subroutine prints the set of functions P_i(r) involved in the SCF iterations. These functions together with r values and some additional parameters may also be written into a separate file for later use by the 2DHF program
Source file: output.f
I/O Operations: Unit ID Unit No Access Form Operation OUC SEQ FMTD W OUF SEQ FMTD O W OUF C OUF2DHF SEQ FMTD W Operation codes A=rewind,B=backspace,C=close,E=endfile I=inquire,O=open,R=read,W=write
External Functions and Subroutines Called INTEGER MMAX, MMIN REAL*8 QUADR
Parameter Variables Used INTEGER MAXNO (MAXNO = 29999) INTEGER MAXORB (MAXORB = 20)
Local Variables (+ indicates altered content) INTEGER +I, +IJ, +J, +JF INTEGER +JJ, +K, +KK, +LM INTEGER +ML, +MU, +MX, +MXMAX REAL*8 +OUT(8), +T
Referenced Common Block Variables (+ indicates altered content) INOUT INTEGER OUC, OUF INOUT INTEGER OUF2DHF LABEL CHARACTER*8 ATOM LABEL CHARACTER*4 EL(MAXORB) LABEL CHARACTER*8 TERM MCOMMBLOCK INTEGER L(MAXORB) MCOMMBLOCK INTEGER MAXV(MAXORB) MCOMMBLOCK INTEGER N(MAXORB) MCOMMBLOCK REAL*8 P(MAXORB,MAXNO) MCOMMBLOCK REAL*8 R(MAXNO), R2(MAXNO) MCOMMBLOCK REAL*8 Y(MAXORB,MAXNO) PARAM INTEGER IB, NO PARAM INTEGER NWF PARAM REAL*8 Z PARAM0 INTEGER ITWO, IZERO REL REAL*8 DLR(MAXORB) REL REAL*8 ZRL(MAXORB) STATE REAL*8 QC(MAXORB,40) WAVE REAL*8 AZ(MAXORB) WAVE REAL*8 DPM(MAXORB) WAVE REAL*8 E(MAXORB,MAXORB) WAVE REAL*8 EK(MAXORB)