Description

Copyright (C) 1978 Charlotte Froese Fisher Copyright (C) 2012 Jacek Kobus grange computes off-diagonal energy parameters

Source file:	grange.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

External Functions and Subroutines Called

INTEGER MMAX REAL*8 EKIN, ELAGR, HL, QUADR

Parameter Variables Used

INTEGER MAXNO (MAXNO = 29999) INTEGER MAXORB (MAXORB = 20)

Local Variables (+ indicates altered content)

INTEGER +I, +I1, +I2, +II INTEGER +IP, +IROW, +IT, +J INTEGER +J1, +J2, +JP, +JT INTEGER +K1, +K2, +K3, +K4 INTEGER +KI(4), +KJ(4), +KK, +KKK INTEGER +KP, +KT(4), +KTT, +LM INTEGER +NI, +NII, +NJ REAL*8 +AA(4,5), +C1, +C2, +CC(4) REAL*8 +DD, +DEN, +DM, +OV REAL*8 +OVI, +OVJ, +RATIO, +T REAL*8 +XX(4)

Referenced Equivalenced Variables (+ indicates altered content)

EQUIV REAL*8 +AA() Local Var REAL*8 +CC() Local Var EQUIV INTEGER +I1 Local Var INTEGER +KI() Local Var INTEGER +I2 Local Var EQUIV INTEGER +J1 Local Var INTEGER +KJ() Local Var INTEGER +J2 Local Var

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 N(MAXORB) PARAM INTEGER IB, NWF PARAM0 INTEGER IONE, IZERO PARAM1 REAL*8 D0, D1 PARAM1 REAL*8 D2 ROTORB INTEGER +IL, +K ROTORB REAL*8 +G, QI ROTORB REAL*8 QJ TEST LOGICAL*1 EZERO, ORTHO TEST LOGICAL*1 +OTHER WAVE REAL*8 +E(MAXORB,MAXORB) WAVE REAL*8 SUM(MAXORB)