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sqlsf.f
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sqlsf.f
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*
* ------------------------------------------------------------------
* B D A T A RYSYS
* ------------------------------------------------------------------
*
SUBROUTINE BDATA
IMPLICIT DOUBLE PRECISION(A-H,O-Z)
C from library libang.a
C CALL INITT
C from library libsqlsf1.a
call factrl(32)
CALL GLCONS
CALL RIBLS
CALL TERMLS
C from library libsqlsf2.a
C CALL TRMF
C CALL TRMF15
RETURN
END
*
* -------------------------------------------------------------
* B L O C K D A T A T E R M L S
* -------------------------------------------------------------
*
* Written by G. Gaigalas, *
* Vilnius, Lithuania December 1993 *
*
CGGV BLOCK DATA TERMLS
SUBROUTINE TERMLS
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/MT/MT(40)
COMMON/SKMT2/MTF(8),MT3(90)
DATA MT/00100,10000,00300,20102,00104,30000,10202,10004,00500,
*00100,20302,20102,40104,20104,00304,00104,20306,20106,00106,
*20108,00308,00108,20110,00112,50000,10000,30202,10202,10404,
*10204,30004,10004,30206,10206,10006,10208,30008,10008,10210,
*10012/
DATA MTF/60106,70000,50202,50004,50206,50008,50210,50012/
DATA MT3/080108,
*090000,070202,070004,070206,070008,070210,070012,070214,070016,
*100110,
*110000,090202,090004,090206,090008,090210,090012,090214,090016,
*090218,090020,
*120112,
*130000,110202,110004,110206,110008,110210,110012,110214,110016,
*110218,110020,110222,110024,
*140114,
*150000,130202,130004,130206,130008,130210,130012,130214,130016,
*130218,130020,130222,130024,130226,130028,
*160116,
*170000,150202,150004,150206,150008,150210,150012,150214,150016,
*150218,150020,150222,150024,150226,150028,150230,150032,
*180118,
*190000,170202,170004,170206,170008,170210,170012,170214,170016,
*170218,170020,170222,170024,170226,170028,170230,170032,170234,
*170036/
END
*
* -------------------------------------------------------------
* S I X J
* -------------------------------------------------------------
* *
* THIS PACKAGE DETERMINES THE VALUES OF 6j COEFFICIENT *
* *
* | I/2 J/2 K/2 | *
* | L/2 M/2 N/2 | (29.1A) [J.B.77] *
* *
* Written by G. Gaigalas, *
* Vanderbilt University, Nashville October 1996 *
*
*
SUBROUTINE SIXJ(I,J,K,L,M,N,ITIK,SI)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
LOGICAL SAVE
DIMENSION RACA(0:4,0:4,0:4,0:4,0:4,0:4)
DATA RACA/15625*1.D-20/
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
DATA UNDEF/1.D-20/
SI=ZERO
IF(ITIK.NE.0) THEN
C
C CHESKED TRIANGULAR CONDITIONS
C
IF(IXJTIK(I,J,K,L,M,N).EQ.0) RETURN
ENDIF
SAVE = .FALSE.
IF (MAX0(I,J,K,L,M,N).LE.4) THEN
SI = RACA(I,J,K,L,M,N)
IF (SI .EQ. UNDEF) THEN
SAVE = .TRUE.
ELSE
RETURN
END IF
END IF
CALL GRACAH1(I,J,M,L,K,N,SI)
IF(MOD(I+J+M+L,4).NE.0)SI=-SI
IF (SAVE) RACA(I,J,K,L,M,N) =SI
RETURN
END
*
* -------------------------------------------------------------
* B L O C K D A T A R I B L S
* -------------------------------------------------------------
*
* Written by G. Gaigalas, *
* Vanderbilt University, Nashville October 1996 *
*
CGGV BLOCK DATA RIBLS
SUBROUTINE RIBLS
COMMON/RIBOLS/IMPTLS(40),IMGTLS(40),IMPNLS(40),IMGNLS(40)
COMMON/RIBOLSF/IMPTLSF(8),IMGTLSF(8),IMPNLSF(8),IMGNLSF(8)
COMMON/RIBOF/IMPTF(238),IMGTF(238),IMPNF(238),IMGNF(238)
COMMON/RIBOLS3/IMPTLS3(90),IMGTLS3(90),IMPNLS3(90),IMGNLS3(90)
DATA IMPTLS/1,2,3*3,3*6,16*9,16*25/
DATA IMGTLS/1,2,3*5,3*8,16*24,16*40/
DATA IMPNLS/2,1,3*6,3*3,16*25,16*9/
DATA IMGNLS/2,1,3*8,3*5,16*40,16*24/
DATA IMPTLSF/301,7*302/
DATA IMGTLSF/301,7*308/
DATA IMPNLSF/302,7*301/
DATA IMGNLSF/308,7*301/
DATA IMPTF/119*1,119*120/
DATA IMGTF/119*119,119*238/
DATA IMPNF/119*120,119*1/
DATA IMGNF/119*238,119*119/
DATA IMPTLS3/1,9*2,11,11*12,23,13*24,37,15*38,53,17*54,71,
*19*72/
DATA IMGTLS3/1,9*10,11,11*22,23,13*36,37,15*52,53,17*70,71,
*19*90/
DATA IMPNLS3/2,9*1,12,11*11,24,13*23,38,15*37,54,17*53,72,
*19*71/
DATA IMGNLS3/10,9*1,22,11*11,36,13*23,52,15*37,70,17*53,90,
*19*71/
END
*
* -------------------------------------------------------------
* N I N E L S
* -------------------------------------------------------------
*
* *
* THIS PACKAGE DETERMINES THE VALUES OF 9j COEFFICIENT *
* *
* | J1/2 J2/2 J3/2 | *
* | L1/2 L2/2 L3/2 | *
* | K1/2 K2/2 K3/2 | *
* *
* Written by G. Gaigalas, *
* Vilnius, LITHUANIA January 1997 *
*
SUBROUTINE NINELS(J1,J2,J3,L1,L2,L3,K1,K2,K3,I,IN,A)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
A=ZERO
IF(I.EQ.1) THEN
IN=0
IF(ITTK(J1,J2,J3).EQ.0)RETURN
IF(ITTK(L1,L2,L3).EQ.0)RETURN
IF(ITTK(K1,K2,K3).EQ.0)RETURN
IF(ITTK(J1,L1,K1).EQ.0)RETURN
IF(ITTK(J2,L2,K2).EQ.0)RETURN
IF(ITTK(J3,L3,K3).EQ.0)RETURN
IN=1
RETURN
ENDIF
IN=1
CALL NINE(J1,J2,J3,L1,L2,L3,K1,K2,K3,I,IN,A)
RETURN
END
*
* -------------------------------------------------------------
* N I N E
* -------------------------------------------------------------
*
* *
* THIS PACKAGE DETERMINES THE VALUES OF 9j COEFFICIENT *
* *
* | J1/2 J2/2 J3/2 | *
* | L1/2 L2/2 L3/2 | *
* | K1/2 K2/2 K3/2 | *
* *
* Written by G. Gaigalas, *
* Vilnius, Lithuania March 1995 *
*
SUBROUTINE NINE(J1,J2,J3,L1,L2,L3,K1,K2,K3,I,IN,AA)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
IF(I.EQ.1) THEN
IN=0
IF(ITTK(J1,J2,J3).EQ.0)RETURN
IF(ITTK(L1,L2,L3).EQ.0)RETURN
IF(ITTK(K1,K2,K3).EQ.0)RETURN
IF(ITTK(J1,L1,K1).EQ.0)RETURN
IF(ITTK(J2,L2,K2).EQ.0)RETURN
IF(ITTK(J3,L3,K3).EQ.0)RETURN
IN=1
RETURN
ENDIF
C
N1=IABS(J1-K3)
N2=IABS(L3-J2)
N3=IABS(L1-K2)
N4=IABS(J2-L3)
N5=IABS(K2-L1)
N6=IABS(J1-K3)
MAX=MAX0(N1,N2,N3,N4,N5,N6)
N1=J1+K3
N2=L3+J2
N3=J2+L3
N4=K2+L1
N5=J1+K3
N6=L1+K2
MIN=MIN0(N1,N2,N3,N4,N5,N6)
IN=1
AA=ZERO
DO 1 IX=MAX,MIN,2
CALL SIXJ(J1,J2,J3,L3,K3,IX,0,S1)
CALL SIXJ(L1,L2,L3,J2,IX,K2,0,S2)
CALL SIXJ(K1,K2,K3,IX,J1,L1,0,S3)
X=S1*S2*S3*DBLE(IX+1)
IF(MOD(IX,2).NE.0) X=-X
AA=X+AA
1 CONTINUE
RETURN
END
*
* -----------------------------------------------------------------
* G R A C A H 1
* -----------------------------------------------------------------
*
SUBROUTINE GRACAH1(I,J,K,L,M,N,RAC)
IMPLICIT REAL*8(A-H,O-Z)
*
* SUBROUTINE TO CALCULATE RACAH COEFFICIENTS.
* THE ARGUMENTS I,J,K,L,M,N SHOULD BE TWICE THEIR ACTUAL VALUE.
* WRITTEN BY N. S. SCOTT
* Modified by C. Froese Fischer, March 11, 1988 to use
* table look-up
* and
* G. Gaigalas, September 14, 1997
*
COMMON/FACT/GAM(100)
DATA ZERO,ONE,TWO/0.D0,1.D0,2.D0/
*
J1 = I+J+M
J2 = K+L+M
J3 = I+K+N
J4 = J+L+N
IF (MOD(J1,2) .EQ. 0 .AND. MOD(J2,2) .EQ. 0 .AND.
: MOD(J3,2) .EQ. 0 .AND. MOD(J4,2) .EQ. 0 ) THEN
J1 = J1/2
J2 = J2/2
J3 = J3/2
J4 = J4/2
IF (MAX(I,J,M) .LE. J1 .AND. MAX(K,L,M) .LE. J2 .AND.
: MAX(I,K,N) .LE. J3 .AND. MAX(J,L,N) .LE. J4 ) THEN
J5 = (I+J+K+L)/2
J6 = (I+L+M+N)/2
J7 = (J+K+M+N)/2
NUMIN = MAX(J1, J2, J3, J4) + 1
NUMAX = MIN(J5, J6, J7) + 1
RAC = ONE
ICOUNT = 0
DO 10 KK = NUMIN+1,NUMAX
KI = NUMAX - ICOUNT
RAC = ONE - (RAC*(KI*(J5-KI+2)*(J6-KI+2)*(J7-KI+2)))/
: ((KI-1-J1)*(KI-1-J2)*(KI-1-J3)*(KI-1-J4))
ICOUNT = ICOUNT+1
10 CONTINUE
RAC = RAC*EXP(
: (GAM(NUMIN+1) - GAM(NUMIN-J1) - GAM(NUMIN-J2) -
: GAM(NUMIN-J3) - GAM(NUMIN-J4) - GAM(J5+2-NUMIN)-
: GAM(J6+2-NUMIN)-GAM(J7+2-NUMIN)) +
: (GAM(J1+1-I)+GAM(J1+1-J)+GAM(J1+1-M)-GAM(J1+2) +
: GAM(J2+1-K)+GAM(J2+1-L)+GAM(J2+1-M)-GAM(J2+2) +
: GAM(J3+1-I)+GAM(J3+1-K)+GAM(J3+1-N)-GAM(J3+2) +
: GAM(J4+1-J)+GAM(J4+1-L)+GAM(J4+1-N)-GAM(J4+2))/TWO)
IF (MOD(J5+NUMIN,2) .EQ. 0) RAC = -RAC
ELSE
RAC = ZERO
END IF
ELSE
RAC = ZERO
END IF
RETURN
END
*
* -------------------------------------------------------------
* I X J T I K
* -------------------------------------------------------------
*
* *
* CHESKED TRIANGULAR CONDITIONS FOR 6j COEFFICIENT *
* *
* | I/2 J/2 K/2 | IXJTIK=1 - IF NOT SATISFY *
* | L/2 M/2 N/2 | IXJTIK=0 - IN OVER CASES *
* *
* Written by G. Gaigalas, *
* Vilnius, Lithuania December 1993 *
*
FUNCTION IXJTIK(I,J,K,L,M,N)
IXJTIK=0
IF(ITTK(I,J,K).EQ.0)RETURN
IF(ITTK(I,M,N).EQ.0)RETURN
IF(ITTK(L,J,N).EQ.0)RETURN
IF(ITTK(L,M,K).EQ.0)RETURN
IXJTIK=1
RETURN
END
*
* -------------------------------------------------------------
* I T T K
* -------------------------------------------------------------
*
* *
* CHESKED TRIANGULAR CONDITIONS FOR I/2, J/2, K/2. *
* I+J>=K, I+K>=J, J+K>=I, *
* I/2+J/2+K/2 - WHOLE NUMBER *
* ITTK=1 - IF NOT SATISFY *
* ITTK=0 - IN OVER CASES *
* *
* Written by G. Gaigalas, *
* Vilnius, Lithuania December 1993 *
*
FUNCTION ITTK(I,J,K)
ITTK=0
IF(IABS(I-J).GT.K)RETURN
IF(I+J.LT.K)RETURN
IF(MOD(I+J+K,2).NE.0)RETURN
ITTK=1
RETURN
END
*
* ---------------------------------------------------------------
* I T R E X G
* ---------------------------------------------------------------
*
* Written by G. Gaigalas, *
* Vanderbilt University, Nashville October 1996 *
*
FUNCTION ITREXG(I1,I2,I3,I4,K)
J=MAX0(IABS(I1-I2),IABS(I3-I4))
K=MIN0(IABS(I1+I2),IABS(I3+I4))-J+1
ITREXG=J
RETURN
END
*
* ------------------------------------------------------------------
* B L O C K D A T A G L C O N S
* ------------------------------------------------------------------
*
CGGV BLOCK DATA GLCONS
SUBROUTINE GLCONS
C
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
C
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
C SET GLOBAL REAL CONSTANTS
C
DATA ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS/
: 0.0D 00,0.1D 00,0.5D 00,
: 1.0D 00,2.0D 00,3.0D 00,
: 4.0D 00,
: 7.0D 00,1.1D 01,1.0D-08/
C
END
*
* -----------------------------------------------------------------
* F A C T R L
* -----------------------------------------------------------------
*
*
SUBROUTINE FACTRL(NFACT)
*
* GAM(I) = LOG( GAMMA(I-1) ), WHERE GAMMA(I) = FACTORIAL I-1
*
IMPLICIT DOUBLE PRECISION(A-H,O-Z)
*
COMMON/FACT/GAM(100)
DATA ZERO,ONE,TWO/0.D0,1.D0,2.D0/
*
GAMMA=ONE
GAM(1) = ZERO
DO 1 I=1,NFACT-1
GAMMA=I*GAMMA
GAM(I+1) = DLOG(GAMMA)
1 CONTINUE
DO 20 I = NFACT+1,(100)
X = I-1
GAM(I) = GAM(I-1) + DLOG(X)
20 CONTINUE
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE JJPER(IL1,IL2,IS1,IS2,IL,IS,IJ,IJ1,IJ2,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
CALL NINELS(IL1,IS1,IJ1,IL2,IS2,IJ2,IL,IS,IJ,1,INN,SN)
IF(INN.NE.0) THEN
CALL NINELS(IL1,IS1,IJ1,IL2,IS2,IJ2,IL,IS,IJ,0,INN,SN)
REZ=DSQRT(DBLE((IL+1)*(IS+1)*(IJ1+1)*(IJ2+1)))*SN
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE JKPER(IL1,IL2,IS1,IS2,IL,IS,IJ,IJ1,IK,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
ILES=IXJTIK(IL1,IL2,IL,IK,IS1,IJ1)
IF(ILES.EQ.1) THEN
ISES=IXJTIK(IS1,IS2,IS,IJ,IL,IK)
IF(ISES.EQ.1) THEN
CALL SIXJ(IL1,IL2,IL,IK,IS1,IJ1,0,SNL)
CALL SIXJ(IS1,IS2,IS,IJ,IL,IK,0,SNS)
REZ=DSQRT(DBLE((IJ1+1)*(IK+1)*(IL+1)*(IS+1)))*SNL*SNS
IF(MOD(IL2-IS2+IJ1-IJ,4).NE.0) REZ=-REZ
ENDIF
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE LKPER(IL1,IL2,IS1,IS2,IL,IS,IJ,ILS,IK,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
IF(IL.NE.ILS) RETURN
ISES=IXJTIK(IS1,IS2,IS,IJ,IL,IK)
IF(ISES.NE.0) THEN
CALL SIXJ(IS1,IS2,IS,IJ,IL,IK,0,SN)
REZ=DSQRT(DBLE((IK+1)*(IS+1)))*SN
IF(MOD(IL+IS1+IS2+IJ,4).NE.0) REZ=-REZ
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
c SUBROUTINE JJJKPER(I1,I2,IK,ISI,IJ,IJI,IJIM1,ILI,REZ)
SUBROUTINE JJJKPER(IK,ISI,IJ,IJI,IJIM1,ILI,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
c IF(I1.NE.I2) RETURN
ISES=IXJTIK(IK,ISI,IJ,IJI,IJIM1,ILI)
IF(ISES.NE.0) THEN
CALL SIXJ(IK,ISI,IJ,IJI,IJIM1,ILI,0,SN)
REZ=DSQRT(DBLE((IK+1)*(IJI+1)))*SN
IF(MOD(IJIM1+ILI+ISI+IJ,4).NE.0) REZ=-REZ
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE LS3PER(L_12, L_3, L_123, L_4, L_34, L,
: IS_12,IS_3,IS_123,IS_4,IS_34,IS,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
ISES=IXJTIK(L_12,L_3,L_123,L_4,L,L_34)
IF(ISES.NE.0) THEN
ISES=IXJTIK(IS_12,IS_3,IS_123,IS_4,IS,IS_34)
IF(ISES.NE.0) THEN
CALL SIXJ(L_12,L_3,L_123,L_4,L,L_34,0,SNL)
CALL SIXJ(IS_12,IS_3,IS_123,IS_4,IS,IS_34,0,SNS)
REZ=DSQRT(DBLE((L_123+1)*(L_34+1)*(IS_123+1)*(IS_34+1)))
REZ = REZ*SNL*SNS
IF(MOD(L_3+L_4+L_12+L+IS_3+IS_4+IS_12+IS,4).NE.0) REZ=-REZ
ENDIF
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE LSJ3PER(L_12, L_3, L_123, L_4, L_34, L,
: IS_12,IS_3,IS_123,IS_4,IS_34,IS,J_12,J_34,J,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
ISES=IXJTIK(L_12,L_3,L_123,L_4,L,L_34)
IF(ISES.NE.0) THEN
ISES=IXJTIK(IS_12,IS_3,IS_123,IS_4,IS,IS_34)
IF(ISES.NE.0) THEN
CALL NINELS(L_12,L_34,L,IS_12,IS_34,IS,J_12,J_34,J,1,INN,SN)
IF(INN.NE.0) THEN
CALL NINELS
: (L_12,L_34,L,IS_12,IS_34,IS,J_12,J_34,J,0,INN,SN)
CALL SIXJ(L_12,L_3,L_123,L_4,L,L_34,0,SNL)
CALL SIXJ(IS_12,IS_3,IS_123,IS_4,IS,IS_34,0,SNS)
REZ=DSQRT(DBLE((L_123+1)*(L_34+1)*(IS_123+1)*(IS_34+1)*
: (L+1)*(IS+1)*(J_12+1)*(J_34+1)))
REZ = REZ*SNL*SNS*SN
IF(MOD(L_3+L_4+L_12+L+IS_3+IS_4+IS_12+IS,4).NE.0)REZ=-REZ
ENDIF
ENDIF
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE LK3PER(L_12, L_3, L_123, L_4, L_34, L,
: IS_12,IS_3,IS_123,IS_4,IS_34,IS,K,J,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
ISES=IXJTIK(L_12,L_3,L_123,L_4,L,L_34)
IF(ISES.NE.0) THEN
ISES=IXJTIK(IS_12,IS_3,IS_123,IS_4,IS,IS_34)
IF(ISES.NE.0) THEN
ISES=IXJTIK(IS_34,IS_12,IS,L,J,K)
IF(ISES.NE.0) THEN
CALL SIXJ(IS_34,IS_12,IS,L,J,K,0,SN)
CALL SIXJ(L_12,L_3,L_123,L_4,L,L_34,0,SNL)
CALL SIXJ(IS_12,IS_3,IS_123,IS_4,IS,IS_34,0,SNS)
REZ=DSQRT(DBLE((L_123+1)*(L_34+1)*(IS_123+1)*(IS_34+1)*
: (K+1)*(IS+1)))
REZ = REZ*SNL*SNS*SN
IF(MOD(
: L_3+L_4+L_12+L+IS_3+IS_4+IS_12+IS+IS_12+IS_34+L+J,4)
: .NE.0) REZ=-REZ
ENDIF
ENDIF
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE JK3PER(L_12, L_3, L_123, L_4, L_34, L,
: IS_12,IS_3,IS_123,IS_4,IS_34,IS,J_12,K,J,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
ISES=IXJTIK(L_12,L_3,L_123,L_4,L,L_34)
IF(ISES.NE.0) THEN
ISES=IXJTIK(IS_12,IS_3,IS_123,IS_4,IS,IS_34)
IF(ISES.NE.0) THEN
ISES=IXJTIK(IS_12,L_12,J_12,L_34,K,L)
IF(ISES.NE.0) THEN
ISES=IXJTIK(IS_12,IS_34,IS,J,L,K)
IF(ISES.NE.0) THEN
CALL SIXJ(IS_12,L_12,J_12,L_34,K,L,0,SN1)
CALL SIXJ(IS_12,IS_34,IS,J,L,K,0,SN2)
CALL SIXJ(L_12,L_3,L_123,L_4,L,L_34,0,SNL)
CALL SIXJ(IS_12,IS_3,IS_123,IS_4,IS,IS_34,0,SNS)
REZ=DSQRT(DBLE((L_123+1)*(L_34+1)*(IS_123+1)*(IS_34+1)*
: (J_12+1)*(L+1))*(IS+1)*(K+1))
REZ = REZ*SNL*SNS*SN1*SN2
IF(MOD(
: L_3+L_4+L_12+L+IS_3+IS_4+IS_12+IS+
: J_12+L_34+K+IS_34+K+J,4)
: .NE.0) REZ=-REZ
ENDIF
ENDIF
ENDIF
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE cLSJ3PER(L_1,L_12, L_2, L_3, L_23, L,
: IS_1,IS_12,IS_2,IS_3,IS_23,IS,J_1,J_12,J,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
ISES=IXJTIK(L_1,L_2,L_12,L_3,L,L_23)
IF(ISES.NE.0) THEN
ISES=IXJTIK(IS_1,IS_2,IS_12,IS_3,IS,IS_23)
IF(ISES.NE.0) THEN
CALL NINELS(L_1,IS_1,J_1,L_23,IS_23,J_12,L,IS,J,1,INN,SN)
IF(INN.NE.0) THEN
CALL NINELS
: (L_1,IS_1,J_1,L_23,IS_23,J_12,L,IS,J,0,INN,SN)
CALL SIXJ(L_1,L_2,L_12,L_3,L,L_23,0,SNL)
CALL SIXJ(IS_1,IS_2,IS_12,IS_3,IS,IS_23,0,SNS)
REZ=DSQRT(DBLE((L_12+1)*(L_23+1)*(IS_12+1)*(IS_23+1)*
: (L+1)*(IS+1)*(J_1+1)*(J_12+1)))
REZ = REZ*SNL*SNS*SN
IF(MOD(L_2+L_3+L_1+L+IS_2+IS_3+IS_1+IS,4).NE.0)REZ=-REZ
ENDIF
ENDIF
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE LScjjPER(L12,IS12,L3,IS3,L,IS,J_1,J_2,J,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
CALL NINELS(IS3,L3,J_2,IS12,L12,J_1,IS,L,J,1,INN,SN)
IF(INN.NE.0) THEN
CALL NINELS(IS3,L3,J_2,IS12,L12,J_1,IS,L,J,0,INN,SN)
REZ=DSQRT(DBLE((J_1+1)*(J_2+1)*(L+1)*(IS+1)))
REZ = REZ*SN
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE jj2PER(L1,IS1,L2,IS2,L,IS,J_1,J_2,J,JM2,JP2,J_12,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
ISES=IXJTIK(JM2,JP2,J_2,J,J_1,J_12)
IF(ISES.NE.0) THEN
CALL NINELS(IS2,L2,J_2,IS1,L1,J_1,IS,L,J,1,INN,SN)
IF(INN.NE.0) THEN
CALL NINELS(IS2,L2,J_2,IS1,L1,J_1,IS,L,J,0,INN,SN)
CALL SIXJ(JM2,JP2,J_2,J,J_1,J_12,0,SNS)
REZ=DSQRT(DBLE((J_1+1)*(J_2+1)*(L+1)*(IS+1)*
: (J_2+1)*(J_12+1)))
REZ = REZ*SN*SNS
IF(MOD(JM2+JP2+J_1+J,4).NE.0)REZ=-REZ
ENDIF
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
*
* -----------------------------------------------------------------
*
SUBROUTINE jj3PER(L1,IS1,L2,IS2,L_12,IS_12,L3,IS3,L,IS,
: J_1,J_2,J_3,J,JM2,JP2,J_12,J_12S,JM3,JP3,J_123S,REZ)
IMPLICIT DOUBLEPRECISION (A-H,O-Z)
COMMON/CONSTS/ZERO,TENTH,HALF,ONE,TWO,THREE,FOUR,SEVEN,ELEVEN,EPS
C
REZ=ZERO
ISES=IXJTIK(JM2,JP2,J_2,J_12,J_1,J_12S)
IF(ISES.EQ.0) RETURN
ISES=IXJTIK(JM3,JP3,J_3,J,J_12,J_123S)
IF(ISES.EQ.0) RETURN
CALL NINELS(L1,IS1,J_1,L2,IS2,J_2,L_12,IS_12,J_12,1,INN,SN)
IF(INN.EQ.0) RETURN
CALL NINELS(L_12,L3,L,IS_12,IS3,IS,J_12,J_3,J,1,INN,SN)
IF(INN.EQ.0) RETURN
CALL NINELS(L1,IS1,J_1,L2,IS2,J_2,L_12,IS_12,J_12,0,INN,SN1)
CALL NINELS(L_12,L3,L,IS_12,IS3,IS,J_12,J_3,J,0,INN,SN2)
CALL SIXJ(JM2,JP2,J_2,J_12,J_1, J_12S,0,SNS1)
CALL SIXJ(JM3,JP3,J_3,J, J_12,J_123S,0,SNS2)
REZ = SN1*SN2*SNS1*SNS2
REZ=REZ*DSQRT(DBLE((L_12+1)*(L+1)*(IS_12+1)*(IS+1)))
REZ=REZ*DSQRT(DBLE((J_1+1)*(J_2+1)*(J_3+1)*(J_12+1)))
REZ=REZ*DSQRT(DBLE((J_2+1)*(J_12S+1)*(J_3+1)*(J_123S+1)))
IF(MOD(JM2+JP2+J_1+J_12+JM3+JP3+J_12+J,4).NE.0)REZ=-REZ
RETURN
END
*
* -----------------------------------------------------------------
* L V A L
* -----------------------------------------------------------------
*
* Modified by Gediminas Gaigalas, September 1997
*
INTEGER FUNCTION LVAL(SYMBOL)
CHARACTER*1 SYMBOL
CHARACTER*26 SET
DATA SET/'spdfghiklmnoqSPDFGHIKLMNOQ'/
*
LOCATE = INDEX(SET,SYMBOL)
IF ( LOCATE .LE. 13) THEN
LVAL = LOCATE - 1
ELSE
LVAL = LOCATE - 14
ENDIF
RETURN
END
*
* -----------------------------------------------------------------
* C V A L
* -----------------------------------------------------------------
*
* Writen by Gediminas Gaigalas, September 1999
*
* SUBROUTINE CVAL(I,IVALUE,SYMBOL)
CHARACTER*1 FUNCTION CVAL(I,IVALUE)
IMPLICIT REAL*8(A-H,O-Z)
* CHARACTER*1 SYMBOL
CHARACTER*26 SET
DATA SET/'spdfghiklmnoqSPDFGHIKLMNOQ'/
*
IF (I .EQ. 1) THEN
II = IVALUE+1
ELSE IF (I .EQ. 2) THEN
II = IVALUE/2
II = II+14
ELSE
PRINT*, "error in CVAL"
STOP
ENDIF
* SYMBOL = SET(II:II)
CVAL = SET(II:II)
RETURN
END
*
* -----------------------------------------------------------------
* J V A L
* -----------------------------------------------------------------
*
* Writen by Gediminas Gaigalas, September 1999
*
* SUBROUTINE JVAL(IVALUE,SYMBOL)
CHARACTER*4 FUNCTION JVAL(IVALUE)
IMPLICIT REAL*8(A-H,O-Z)
* CHARACTER*1 SYMBOL
CHARACTER*64 SET1, SET2
CHARACTER*8 SET3
DATA SET1/
:'1/2 1 3/2 2 5/2 3 7/2 4 9/2 5 11/26 13/27 15/28 '
:/
DATA SET2/
:'17/29 19/210 21/211 23/212 25/213 27/214 29/215 31/216 '
:/
DATA SET3/'33/217 '/
*
IF( IVALUE .EQ. 0) THEN
JVAL = '0 '
I = 1
ELSE IF (IVALUE .LE. 16) THEN
I = (IVALUE)*4
JVAL = SET1(I-3:I)
ELSE IF (IVALUE .LE. 32) THEN
I = (IVALUE-16)*4
JVAL = SET2(I-3:I)
ELSE IF (IVALUE .LE. 34) THEN
I = (IVALUE-32)*4
JVAL = SET3(I-3:I)
ELSE
print*,"IVALUE =",IVALUE
STOP ' ERROR in JVAL'
END IF
RETURN
END
*
* -----------------------------------------------------------------
* L S J V A L
* -----------------------------------------------------------------
*
* Writen by Gediminas Gaigalas, September 1999
*
* SUBROUTINE JVAL(IVALUE,SYMBOL)
CHARACTER*2 FUNCTION LSJVAL(IL,IJ)
IMPLICIT REAL*8(A-H,O-Z)
* CHARACTER*1 SYMBOL
CHARACTER*52 SET
DATA SET/
:'s-s+p-p+d-d+f-f+g-g+h-h+i-i+k-k+l-l+m-m+n-n+o-o+q-q+'
:/
*
IF (IL .LE. 13) THEN
I = IJ-2*IL
IF(I .EQ. -1) THEN
I = 4*IL + 1
ELSE IF (I .EQ. 1) THEN
I = 4*IL + 3
ELSE IF (IL .EQ. 0 .AND. IJ .EQ. 0) THEN
I = 1
ELSE
print*,"IL",IL," IJ =",IJ
STOP ' ERROR in LSJVAL 1'
END IF
LSJVAL = SET(I:I+2)
ELSE
STOP ' ERROR in LSJVAL 2'
END IF
RETURN
END