IS=0
DO 3000 J1=1,IP
IF (DABS(B(NUR(J1))).GT.1D-20) IS=IS+1
3000
CONTINUE
IF (IS.EQ.0) GO TO 2
J=J+1
DO 4 J1=1,IP
BK(J1,J)=B(NUR(J1))
4
CONTINUE
NMCUR(J)=NM
NUMCUR(J)=NUM
IZC(J)=IZ
2
CONTINUE
NCAT=J
RETURN
END
C------------------------------------------------------------------C
C------------------------------------------------------------------C
SUBROUTINE INTACT(Z1,Z2,UM,A,PHIPHI,PHIPRI,PHIIJ,THETA)
IMPLICIT DOUBLE PRECISION (A-H,O-Z)
C
THIS SUBROUTINE CALCULATES THE HIGHER-ORDER ELECTROSTATIC
C
INTERACTION TERMS FOR PITZER EQUATIONS.
DIMENSION B(0:22), D(0:22), ZA(2), XA(2,2),XJ(2,2),XJPRIM(2,2)
DIMENSION AKI(0:20), AKII(0:20)
DATA AKI/1.925154014814667, -0.060076477753119,
$ -0.029779077456514, -0.007299499690937, 0.000388260636404,
$
0.000636874599598, 0.000036583601823, -0.000045036975204,
$ -0.000004537895710, 0.000002937706971, 0.000000396566462,
$ -0.000000202099617, -0.000000025267769, 0.000000013522610,
$
0.000000001229405, -0.000000000821969, -0.000000000050847,
$
0.000000000046333, 0.000000000001943, -0.000000000002563,
$ -0.000000000010991/
DATA AKII/0.628023320520852, 0.462762985338493,
$
0.150044637187895, -0.028796057604906, -0.036552745910311,
$
-0.001668087945272, 0.006519840398744, 0.001130378079086,
$
-0.000887171310131,-0.000242107641309, 0.000087294451594,
$
0.000034682122751,-0.000004583768938, -0.000003548684306,
$
-0.000000250453880, 0.000000216991779, 0.000000080779570,
$
0.000000004558555,-0.000000006944757, -0.000000002849257,
$
0.000000000237816/
B(21)=0.
B(22)=0.
D(21)=0.
D(22)=0.
ZA(1)=Z1
ZA(2)=Z2
SQ=SQRT(UM)
17
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