Ewald 1D in 3D: jdu spát
[qpms.git] / amos / zacai.f
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1 SUBROUTINE ZACAI(ZR, ZI, FNU, KODE, MR, N, YR, YI, NZ, RL, TOL,
2 * ELIM, ALIM)
3 C***BEGIN PROLOGUE ZACAI
4 C***REFER TO ZAIRY
6 C ZACAI APPLIES THE ANALYTIC CONTINUATION FORMULA
8 C K(FNU,ZN*EXP(MP))=K(FNU,ZN)*EXP(-MP*FNU) - MP*I(FNU,ZN)
9 C MP=PI*MR*CMPLX(0.0,1.0)
11 C TO CONTINUE THE K FUNCTION FROM THE RIGHT HALF TO THE LEFT
12 C HALF Z PLANE FOR USE WITH ZAIRY WHERE FNU=1/3 OR 2/3 AND N=1.
13 C ZACAI IS THE SAME AS ZACON WITH THE PARTS FOR LARGER ORDERS AND
14 C RECURRENCE REMOVED. A RECURSIVE CALL TO ZACON CAN RESULT IF ZACON
15 C IS CALLED FROM ZAIRY.
17 C***ROUTINES CALLED ZASYI,ZBKNU,ZMLRI,ZSERI,ZS1S2,D1MACH,AZABS
18 C***END PROLOGUE ZACAI
19 C COMPLEX CSGN,CSPN,C1,C2,Y,Z,ZN,CY
20 DOUBLE PRECISION ALIM, ARG, ASCLE, AZ, CSGNR, CSGNI, CSPNR,
21 * CSPNI, C1R, C1I, C2R, C2I, CYR, CYI, DFNU, ELIM, FMR, FNU, PI,
22 * RL, SGN, TOL, YY, YR, YI, ZR, ZI, ZNR, ZNI, D1MACH, AZABS
23 INTEGER INU, IUF, KODE, MR, N, NN, NW, NZ
24 DIMENSION YR(N), YI(N), CYR(2), CYI(2)
25 DATA PI / 3.14159265358979324D0 /
26 NZ = 0
27 ZNR = -ZR
28 ZNI = -ZI
29 AZ = AZABS(ZR,ZI)
30 NN = N
31 DFNU = FNU + DBLE(FLOAT(N-1))
32 IF (AZ.LE.2.0D0) GO TO 10
33 IF (AZ*AZ*0.25D0.GT.DFNU+1.0D0) GO TO 20
34 10 CONTINUE
35 C-----------------------------------------------------------------------
36 C POWER SERIES FOR THE I FUNCTION
37 C-----------------------------------------------------------------------
38 CALL ZSERI(ZNR, ZNI, FNU, KODE, NN, YR, YI, NW, TOL, ELIM, ALIM)
39 GO TO 40
40 20 CONTINUE
41 IF (AZ.LT.RL) GO TO 30
42 C-----------------------------------------------------------------------
43 C ASYMPTOTIC EXPANSION FOR LARGE Z FOR THE I FUNCTION
44 C-----------------------------------------------------------------------
45 CALL ZASYI(ZNR, ZNI, FNU, KODE, NN, YR, YI, NW, RL, TOL, ELIM,
46 * ALIM)
47 IF (NW.LT.0) GO TO 80
48 GO TO 40
49 30 CONTINUE
50 C-----------------------------------------------------------------------
51 C MILLER ALGORITHM NORMALIZED BY THE SERIES FOR THE I FUNCTION
52 C-----------------------------------------------------------------------
53 CALL ZMLRI(ZNR, ZNI, FNU, KODE, NN, YR, YI, NW, TOL)
54 IF(NW.LT.0) GO TO 80
55 40 CONTINUE
56 C-----------------------------------------------------------------------
57 C ANALYTIC CONTINUATION TO THE LEFT HALF PLANE FOR THE K FUNCTION
58 C-----------------------------------------------------------------------
59 CALL ZBKNU(ZNR, ZNI, FNU, KODE, 1, CYR, CYI, NW, TOL, ELIM, ALIM)
60 IF (NW.NE.0) GO TO 80
61 FMR = DBLE(FLOAT(MR))
62 SGN = -DSIGN(PI,FMR)
63 CSGNR = 0.0D0
64 CSGNI = SGN
65 IF (KODE.EQ.1) GO TO 50
66 YY = -ZNI
67 CSGNR = -CSGNI*DSIN(YY)
68 CSGNI = CSGNI*DCOS(YY)
69 50 CONTINUE
70 C-----------------------------------------------------------------------
71 C CALCULATE CSPN=EXP(FNU*PI*I) TO MINIMIZE LOSSES OF SIGNIFICANCE
72 C WHEN FNU IS LARGE
73 C-----------------------------------------------------------------------
74 INU = INT(SNGL(FNU))
75 ARG = (FNU-DBLE(FLOAT(INU)))*SGN
76 CSPNR = DCOS(ARG)
77 CSPNI = DSIN(ARG)
78 IF (MOD(INU,2).EQ.0) GO TO 60
79 CSPNR = -CSPNR
80 CSPNI = -CSPNI
81 60 CONTINUE
82 C1R = CYR(1)
83 C1I = CYI(1)
84 C2R = YR(1)
85 C2I = YI(1)
86 IF (KODE.EQ.1) GO TO 70
87 IUF = 0
88 ASCLE = 1.0D+3*D1MACH(1)/TOL
89 CALL ZS1S2(ZNR, ZNI, C1R, C1I, C2R, C2I, NW, ASCLE, ALIM, IUF)
90 NZ = NZ + NW
91 70 CONTINUE
92 YR(1) = CSPNR*C1R - CSPNI*C1I + CSGNR*C2R - CSGNI*C2I
93 YI(1) = CSPNR*C1I + CSPNI*C1R + CSGNR*C2I + CSGNI*C2R
94 RETURN
95 80 CONTINUE
96 NZ = -1
97 IF(NW.EQ.(-2)) NZ=-2
98 RETURN
99 END