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|
*DECK LIBPTT
SUBROUTINE LIBPTT(IGRP,NDIL,NPART,DILUT,XSDIL,GOLD,HNAMIS,IMPX,
1 NOR,WEIGH,SIGX,SIGP)
*
*-----------------------------------------------------------------------
*
*Purpose:
* Transform dilution dependent total and partial self-shielded cross
* section into probability tables.
*
*Copyright:
* Copyright (C) 2002 Ecole Polytechnique de Montreal
* This library is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public
* License as published by the Free Software Foundation; either
* version 2.1 of the License, or (at your option) any later version
*
*Author(s): A. Hebert
*
*Parameters: input
* IGRP energy group index of the probability table.
* NDIL number of finite dilutions.
* NPART number of partial cross sections.
* DILUT dilutions with DILUT(NDIL+1)=1.e10.
* XSDIL dilution dependent self-shielded cross sections:
* XSDIL(I,1) total self-shielded cross sections;
* XSDIL(I,2) nu*fission self-shielded cross sections;
* XSDIL(I,3) P0 scattering cross sections;
* etc.
* XSDIL(NDIL+1,j) are the infinite dilution values.
* GOLD Goldstein-Cohen parameter.
* HNAMIS local name of the isotope:
* HNAMIS(1:8) is the local isotope name;
* HNAMIS(9:12) is a suffix function of the mixture index.
* IMPX print parameter (equal to zero for no print).
*
*Parameters: output
* NOR order for the probability table.
* WEIGH quadrature weights for the probability table.
* SIGX base points for the total cross sections.
* SIGP base points for the partial cross sections.
*
*-----------------------------------------------------------------------
*
IMPLICIT DOUBLE PRECISION(A-H,O-Z)
*----
* SUBROUTINE ARGUMENTS
*----
PARAMETER (MAXNOR=12)
INTEGER IGRP,NDIL,NPART,IMPX,NOR
REAL DILUT(NDIL+1),XSDIL(NDIL+1,NPART+1),GOLD,WEIGH(NOR),
1 SIGX(NOR),SIGP(MAXNOR,NPART)
CHARACTER HNAMIS*12
*----
* LOCAL VARIABLES
*----
PARAMETER (TARGET=0.2D-3,EPSRID=5.0D-4)
REAL PRECA
DOUBLE PRECISION SIGXI,CC,DD,EE,DENOM
DOUBLE PRECISION DA(0:MAXNOR-1),DB(0:MAXNOR-1),DC(0:MAXNOR)
COMPLEX*16 SIGX0(MAXNOR),CCC,DCC,XCC
LOGICAL LCONV,LFAIL
CHARACTER HSMG*131
REAL, ALLOCATABLE, DIMENSION(:) :: WABS
DOUBLE PRECISION, ALLOCATABLE, DIMENSION(:) :: TEST,SDDK
DOUBLE PRECISION, ALLOCATABLE, DIMENSION(:,:) :: TOFIT
*----
* SCRATCH STORAGE ALLOCATION
*----
ALLOCATE(TEST(NPART+2),SDDK(NDIL),TOFIT(NDIL,2))
*
IF(IMPX.GT.5) THEN
WRITE(6,'(/47H LIBPTT: DILUTION DEPENDANT CROSS SECTIONS OF I,
1 8HSOTOPE '',A12,10H'' IN GROUP,I4,1H:/9X,10HDILUTIONS=,1P,
2 9E12.4,:/(19X,9E12.4))') HNAMIS,IGRP,(DILUT(I),I=1,NDIL+1)
WRITE(6,'(10X,9HTOTAL XS=,1P,9E12.4,:/(19X,9E12.4))')
1 (XSDIL(I,1),I=1,NDIL+1)
IF(GOLD.NE.1.0) THEN
WRITE(6,'(6X,13HPRINCIPAL XS=,1P,9E12.4,:/(19X,9E12.4))')
1 (XSDIL(I,1)-(1.0-GOLD)*XSDIL(I,3),I=1,NDIL+1)
ENDIF
IF(IMPX.GT.6) THEN
DO 10 J=1,NPART
WRITE(6,'(4X,10HPARTIAL XS,I4,1H=,1P,9E12.4,:/(19X,
1 9E12.4))') J,(XSDIL(I,J+1),I=1,NDIL+1)
10 CONTINUE
ENDIF
ENDIF
IF(NPART.LT.2) CALL XABORT('LIBPTT: SCATTERING INFO MISSING.')
*----
* CHECK IF THE ENERGY GROUP IS REALLY RESONANT.
*----
IF(NDIL.EQ.0) THEN
NOR=1
WEIGH(1)=1.0
SIGX(1)=XSDIL(1,1)
DO 20 J=1,NPART
SIGP(1,J)=XSDIL(1,J+1)
20 CONTINUE
PREC0=0.0D0
PREC=0.0D0
PREC1=0.0D0
GO TO 480
ENDIF
PREC=0.0D0
PREC0=0.0D0
PREC1=0.0D0
LCONV=.FALSE.
DO 30 IDIL=1,NDIL
ERR=ABS(DBLE((XSDIL(NDIL+1,1))/(XSDIL(IDIL,1)))-1.0D0)
PREC=MAX(PREC,ERR)
ERR=ABS(DBLE((XSDIL(NDIL+1,1)-(1.0D0-GOLD)*XSDIL(NDIL+1,3))/
1 (XSDIL(IDIL,1)-(1.0-GOLD)*XSDIL(IDIL,3)))-1.0D0)
PREC0=MAX(PREC0,ERR)
ERR=ABS(DBLE((XSDIL(NDIL+1,1)-XSDIL(NDIL+1,3))/
1 (XSDIL(IDIL,1)-XSDIL(IDIL,3)))-1.0D0)
PREC1=MAX(PREC1,ERR)
LCONV=LCONV.OR.(ABS(XSDIL(IDIL,1)).EQ.ABS(XSDIL(IDIL+1,1)))
30 CONTINUE
IF(IMPX.GT.3) WRITE(6,'(/36H LIBPTT: ORDER 1 PROBABILITY TABLE ,
1 24HCALCULATION OF ISOTOPE '',A12,10H'' IN GROUP,I4,8H. ERROR=,1P,
2 3D11.3,1H.)') HNAMIS,IGRP,PREC0,PREC,PREC1
IF(PREC.LE.TARGET) THEN
NOR=1
WEIGH(1)=1.0
SIGX(1)=XSDIL(NDIL+1,1)
DO 40 J=1,NPART
SIGP(1,J)=XSDIL(NDIL+1,J+1)
40 CONTINUE
GO TO 360
ENDIF
IF(LCONV) THEN
WRITE(HSMG,'(45HLIBPTT: UNIFORM TOTAL XS IS NOT EXPECTED IN G,
1 4HROUP,I4,1H.)') IGRP
CALL XABORT(HSMG)
ENDIF
*----
* FIND THE PADE APPROXIMATION FOR ABS+XGOLD*SIGS CROSS SECTION USING
* A PADE REGRESSION.
*----
XGOLD=GOLD
45 ALLOCATE(WABS(NDIL+1))
DO 60 IDIL=1,NDIL+1
WABS(IDIL)=REAL(XSDIL(IDIL,1)-(1.0D0-XGOLD)*XSDIL(IDIL,3))
60 CONTINUE
CALL ALPLSF(3,NDIL+1,DILUT,WABS,EPSRID,.TRUE.,NOR,DA,DB,PRECA)
DEALLOCATE(WABS)
NOR=NOR+1
IF(NOR.GT.MAXNOR) CALL XABORT('LIBPTT: NOR IS TOO LARGE.')
PREC0=DBLE(PRECA)
*
* FIND THE BASE POINTS IN ABS+XGOLD*SIGS CROSS SECTION.
SGN=1.0D0
DC(0)=DA(0)
DO 70 I=2,NOR
SGN=-SGN
DC(I-1)=SGN*(DB(I-2)+DA(I-1))
70 CONTINUE
DC(NOR)=-SGN
CALL ALROOT(DC,NOR,SIGX0,LFAIL)
IF(LFAIL) CALL XABORT('LIBPTT: POLYNOMIAL ROOT FINDING FAILURE.')
*
DO 110 I=1,NOR
*
* NEWTON IMPROVEMENT OF THE ROOTS.
CCC=0.0D0
XCC=1.0D0
DO 80 J=0,NOR
CCC=CCC+DC(J)*XCC
XCC=XCC*SIGX0(I)
80 CONTINUE
DCC=0.0D0
XCC=1.0D0
DO 85 J=1,NOR
DCC=DCC+DC(J)*XCC*REAL(J)
XCC=XCC*SIGX0(I)
85 CONTINUE
SIGX0(I)=SIGX0(I)-CCC/DCC
*
* COMPUTE THE WEIGHTS.
IF(AIMAG(CMPLX(SIGX0(I))).NE.0.0) CALL XABORT('LIBPTT: COMPLEX '
1 //'ROOT.')
SIGXI=DBLE(SIGX0(I))
CC=1.0D0
DD=0.0D0
DO 90 J=0,NOR-1
DD=DD+DB(J)*CC
CC=-CC*SIGXI
90 CONTINUE
DO 100 J=1,NOR
IF(J.NE.I) DD=DD/(DBLE(SIGX0(J))-SIGXI)
100 CONTINUE
WEIGH(I)=REAL(DD)
110 CONTINUE
*----
* PROCESS THE TOTAL CROSS SECTIONS.
*----
DO 210 IDIL=1,NDIL
SCC=DA(NOR-1)
DO 200 I=NOR-2,0,-1
SCC=DA(I)+SCC*DILUT(IDIL)
200 CONTINUE
SDDK(IDIL)=(XSDIL(IDIL,1)-(1.0-XGOLD)*XSDIL(IDIL,3))/SCC
TOFIT(IDIL,1)=DILUT(IDIL)
TOFIT(IDIL,2)=XSDIL(IDIL,1)/SDDK(IDIL)
SDDK(IDIL)=SDDK(IDIL)*SDDK(IDIL)
210 CONTINUE
IF(XGOLD.NE.1.0) THEN
CALL ALDFIT(NDIL,NOR-1,TOFIT(1,1),TOFIT(1,2),SDDK,DA)
ENDIF
DO 220 I=0,NOR-1
DA(I)=DA(I)*XSDIL(NDIL+1,1)/DA(NOR-1)
220 CONTINUE
*----
* COMPUTE THE BASE POINTS IN TOTAL CROSS SECTION.
*----
DO 240 I=1,NOR
SIGXI=DBLE(SIGX0(I))
CC=1.0D0
DD=0.0D0
EE=0.0D0
DO 230 J=0,NOR-1
DD=DD+DA(J)*CC
EE=EE+DB(J)*CC
CC=-CC*SIGXI
230 CONTINUE
SIGX(I)=REAL(DD/EE)
IF(SIGX(I).LT.0.0) THEN
IF(XGOLD.EQ.1.0) CALL XABORT('LIBPTT: NEGATIVE BASE POINTS FO'
1 //'R THE TOTAL CROSS SECTION.')
XGOLD=MIN(1.0D0,XGOLD+0.1D0)
GO TO 45
ENDIF
240 CONTINUE
*----
* PROCESS THE PARTIAL CROSS SECTIONS.
*----
DO 300 IPART=1,NPART
IF(XSDIL(NDIL+1,IPART+1).EQ.0.0) THEN
DO 250 I=1,NOR
SIGP(I,IPART)=0.0
250 CONTINUE
GO TO 300
ENDIF
DO 260 IDIL=1,NDIL
TOFIT(IDIL,1)=DILUT(IDIL)
TOFIT(IDIL,2)=XSDIL(IDIL,IPART+1)/SQRT(SDDK(IDIL))
260 CONTINUE
CALL ALDFIT(NDIL,NOR-1,TOFIT(1,1),TOFIT(1,2),SDDK,DA)
IF(DA(NOR-1).EQ.0.0) THEN
DO 265 I=1,NOR
SIGP(I,IPART)=XSDIL(NDIL+1,IPART+1)
265 CONTINUE
GO TO 300
ENDIF
DO 270 I=0,NOR-1
DA(I)=DA(I)*XSDIL(NDIL+1,IPART+1)/DA(NOR-1)
270 CONTINUE
*----
* COMPUTE THE BASE POINTS IN PARTIAL CROSS SECTION.
*----
DO 290 I=1,NOR
SIGXI=DBLE(SIGX0(I))
CC=1.0D0
DD=0.0D0
EE=0.0D0
DO 280 J=0,NOR-1
DD=DD+DA(J)*CC
EE=EE+DB(J)*CC
CC=-CC*SIGXI
280 CONTINUE
SIGP(I,IPART)=REAL(DD/EE)
290 CONTINUE
300 CONTINUE
*----
* REMOVING SMALL PROBABILITIES.
*----
INOR=0
330 INOR=INOR+1
IF(INOR.GT.NOR) GO TO 360
IF(ABS(WEIGH(INOR)).LE.5.0E-7) THEN
DO 355 JNOR=INOR+1,NOR
WEIGH(JNOR-1)=WEIGH(JNOR)
SIGX(JNOR-1)=SIGX(JNOR)
DO 350 J=1,NPART
SIGP(JNOR-1,J)=SIGP(JNOR,J)
350 CONTINUE
355 CONTINUE
INOR=INOR-1
NOR=NOR-1
ENDIF
GO TO 330
*----
* NORMALIZE THE PROBABILITY TABLE TO INFINITE DILUTION X-S.
*----
360 CC=0.0D0
DO 390 I=1,NOR
CC=CC+WEIGH(I)
390 CONTINUE
DO 400 I=1,NOR
WEIGH(I)=WEIGH(I)/REAL(CC)
400 CONTINUE
CC=0.0D0
DO 410 I=1,NOR
CC=CC+WEIGH(I)*SIGX(I)
410 CONTINUE
IF(CC.NE.0.0) THEN
DO 420 I=1,NOR
SIGX(I)=SIGX(I)*XSDIL(NDIL+1,1)/REAL(CC)
420 CONTINUE
ENDIF
DO 450 J=1,NPART
CC=0.0D0
DO 430 I=1,NOR
CC=CC+WEIGH(I)*SIGP(I,J)
430 CONTINUE
IF(CC.NE.0.0) THEN
DO 440 I=1,NOR
SIGP(I,J)=SIGP(I,J)*XSDIL(NDIL+1,J+1)/REAL(CC)
440 CONTINUE
ENDIF
450 CONTINUE
*----
* TEST THE ACCURACY OF THE PROBABILITY TABLE.
*----
PREC=0.0D0
PREC1=0.0D0
DO 470 IDIL=1,NDIL+1
CC=0.0D0
DD=0.0D0
EE=0.0D0
DO 460 I=1,NOR
DENOM=SIGX(I)-(1.0-GOLD)*SIGP(I,2)+DILUT(IDIL)
CC=CC+WEIGH(I)/DENOM
DD=DD+WEIGH(I)*SIGX(I)/DENOM
EE=EE+WEIGH(I)*(SIGX(I)-SIGP(I,2))/DENOM
460 CONTINUE
PREC=MAX(PREC,ABS((DD/CC)/DBLE(XSDIL(IDIL,1))-1.0D0))
PREC1=MAX(PREC1,ABS((EE/CC)/DBLE(XSDIL(IDIL,1)-
1 XSDIL(IDIL,3))-1.0D0))
470 CONTINUE
480 IF((IMPX.GE.3).AND.(NOR.GT.1)) THEN
WRITE(6,'(14H LIBPTT: ORDER,I3,27H PROBABILITY TABLE CALCULAT,
1 16HION OF ISOTOPE '',A12,10H'' IN GROUP,I4,8H. ERROR=,1P,
2 3D11.3,1H.)') NOR,HNAMIS,IGRP,PREC0,PREC,PREC1
ENDIF
IF((IMPX.GE.2).AND.(NOR.GT.1)) THEN
WRITE(6,'(/34H LIBPTT: SIGT BASE POINTS IN GROUP,I4,1H:)') IGRP
WRITE(6,'(1X,1P,12E12.4)') SIGX(:NOR)
ENDIF
*
IF(((IMPX.GT.4).AND.(NOR.GT.1)).OR.(IMPX.GT.5)) THEN
WRITE(6,'(/27H LIBPTT: PROBABILITY TABLE:/7X,11HPROBABILITY,
1 2X,10HTOTAL-----,2X,22HPARTIAL CROSS SECTIONS)')
DO 490 J=1,NPART+2
TEST(J)=0.0D0
490 CONTINUE
DO 510 INOR=1,NOR
TEST(1)=TEST(1)+WEIGH(INOR)
TEST(2)=TEST(2)+WEIGH(INOR)*SIGX(INOR)
DO 500 J=1,NPART
TEST(J+2)=TEST(J+2)+WEIGH(INOR)*SIGP(INOR,J)
500 CONTINUE
WRITE(6,'(1X,I5,1P,7E12.4,:/(30X,5E12.4))') INOR,
1 WEIGH(INOR),SIGX(INOR),(SIGP(INOR,J),J=1,NPART)
510 CONTINUE
WRITE(6,'(6H CHECK,1P,7E12.4,:/(30X,5E12.4))') (REAL(TEST(J)),
1 J=1,NPART+2)
TEST(1)=1.0D0
DO 520 J=1,NPART+1
TEST(J+1)=XSDIL(NDIL+1,J)
520 CONTINUE
WRITE(6,'(6H EXACT,1P,7E12.4,:/(30X,5E12.4))') (REAL(TEST(J)),
1 J=1,NPART+2)
ENDIF
*----
* SCRATCH STORAGE DEALLOCATION
*----
DEALLOCATE(TOFIT,SDDK,TEST)
RETURN
END
|
