You cannot select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
347 lines
14 KiB
FortranFixed
347 lines
14 KiB
FortranFixed
15 years ago
|
C $ f2py -m erfcoremod -h erfcoremod.pyf erfcoremod.f
|
||
|
|
C f2py erfcoremod.pyf erfcoremod.f -c --fcompiler=gnu95 --compiler=mingw32 -lmsvcr71
|
||
|
|
C $ f2py --fcompiler=gnu95 --compiler=mingw32 -lmsvcr71 -m erfcoremod -c erfcoremod.f
|
||
|
|
|
||
|
|
C gfortran -fPIC -c erfcoremod.f
|
||
|
|
C f2py -m erfcoremod -c erfcoremod.o erfcoremod_interface.f
|
||
15 years ago
|
|
||
|
|
MODULE ERFCOREMOD
|
||
|
15 years ago
|
C IMPLICIT NONE
|
||
|
15 years ago
|
|
||
|
15 years ago
|
C INTERFACE CALERF
|
||
|
|
C MODULE PROCEDURE CALERF
|
||
|
|
C END INTERFACE
|
||
|
15 years ago
|
|
||
|
15 years ago
|
C INTERFACE DERF
|
||
|
|
C MODULE PROCEDURE DERF
|
||
|
|
C END INTERFACE
|
||
|
15 years ago
|
|
||
|
15 years ago
|
C INTERFACE DERFC
|
||
|
|
C MODULE PROCEDURE DERFC
|
||
|
|
C END INTERFACE
|
||
|
15 years ago
|
|
||
|
15 years ago
|
C INTERFACE DERFCX
|
||
|
|
C MODULE PROCEDURE DERFCX
|
||
|
|
c END INTERFACE
|
||
|
15 years ago
|
CONTAINS
|
||
|
|
C--------------------------------------------------------------------
|
||
|
|
C
|
||
|
|
C DERF subprogram computes approximate values for erf(x).
|
||
|
|
C (see comments heading CALERF).
|
||
|
|
C
|
||
|
|
C Author/date: W. J. Cody, January 8, 1985
|
||
|
|
C
|
||
|
|
C--------------------------------------------------------------------
|
||
|
|
FUNCTION DERF( X ) RESULT (VALUE)
|
||
|
|
IMPLICIT NONE
|
||
|
|
DOUBLE PRECISION, INTENT(IN) :: X
|
||
|
|
DOUBLE PRECISION :: VALUE
|
||
|
|
INTEGER, PARAMETER :: JINT = 0
|
||
|
|
CALL CALERF(X,VALUE,JINT)
|
||
|
|
RETURN
|
||
|
|
END FUNCTION DERF
|
||
|
|
C--------------------------------------------------------------------
|
||
|
|
C
|
||
|
|
C DERFC subprogram computes approximate values for erfc(x).
|
||
|
|
C (see comments heading CALERF).
|
||
|
|
C
|
||
|
|
C Author/date: W. J. Cody, January 8, 1985
|
||
|
|
C
|
||
|
|
C--------------------------------------------------------------------
|
||
|
|
FUNCTION DERFC( X ) RESULT (VALUE)
|
||
|
|
IMPLICIT NONE
|
||
|
|
DOUBLE PRECISION, INTENT(IN) :: X
|
||
|
|
DOUBLE PRECISION :: VALUE
|
||
|
|
INTEGER, PARAMETER :: JINT = 1
|
||
|
|
CALL CALERF(X,VALUE,JINT)
|
||
|
|
RETURN
|
||
|
|
END FUNCTION DERFC
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C
|
||
|
|
C DERFCX subprogram computes approximate values for exp(x*x) * erfc(x).
|
||
|
|
C (see comments heading CALERF).
|
||
|
|
C
|
||
|
|
C Author/date: W. J. Cody, March 30, 1987
|
||
|
|
C
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
FUNCTION DERFCX( X ) RESULT (VALUE)
|
||
|
|
IMPLICIT NONE
|
||
|
|
DOUBLE PRECISION, INTENT(IN) :: X
|
||
|
|
DOUBLE PRECISION :: VALUE
|
||
|
|
INTEGER, PARAMETER :: JINT = 2
|
||
|
|
CALL CALERF(X,VALUE,JINT)
|
||
|
|
RETURN
|
||
|
|
END FUNCTION DERFCX
|
||
|
|
|
||
|
|
SUBROUTINE CALERF(ARG,RESULT,JINT)
|
||
|
|
IMPLICIT NONE
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C
|
||
|
|
C CALERF packet evaluates erf(x), erfc(x), and exp(x*x)*erfc(x)
|
||
|
|
C for a real argument x. It contains three FUNCTION type
|
||
|
|
C subprograms: ERF, ERFC, and ERFCX (or DERF, DERFC, and DERFCX),
|
||
|
|
C and one SUBROUTINE type subprogram, CALERF. The calling
|
||
|
|
C statements for the primary entries are:
|
||
|
|
C
|
||
|
|
C Y=ERF(X) (or Y=DERF(X)),
|
||
|
|
C
|
||
|
|
C Y=ERFC(X) (or Y=DERFC(X)),
|
||
|
|
C and
|
||
|
|
C Y=ERFCX(X) (or Y=DERFCX(X)).
|
||
|
|
C
|
||
|
|
C The routine CALERF is intended for internal packet use only,
|
||
|
|
C all computations within the packet being concentrated in this
|
||
|
|
C routine. The function subprograms invoke CALERF with the
|
||
|
|
C statement
|
||
|
|
C
|
||
|
|
C CALL CALERF(ARG,RESULT,JINT)
|
||
|
|
C
|
||
|
|
C where the parameter usage is as follows
|
||
|
|
C
|
||
|
|
C Function Parameters for CALERF
|
||
|
|
C call ARG Result JINT
|
||
|
|
C
|
||
|
|
C ERF(ARG) ANY REAL ARGUMENT ERF(ARG) 0
|
||
|
|
C ERFC(ARG) ABS(ARG) .LT. XBIG ERFC(ARG) 1
|
||
|
|
C ERFCX(ARG) XNEG .LT. ARG .LT. XMAX ERFCX(ARG) 2
|
||
|
|
C
|
||
|
|
C The main computation evaluates near-minimax approximations
|
||
|
|
C from "Rational Chebyshev approximations for the error function"
|
||
|
|
C by W. J. Cody, Math. Comp., 1969, PP. 631-638. This
|
||
|
|
C transportable program uses rational functions that theoretically
|
||
|
|
C approximate erf(x) and erfc(x) to at least 18 significant
|
||
|
|
C decimal digits. The accuracy achieved depends on the arithmetic
|
||
|
|
C system, the compiler, the intrinsic functions, and proper
|
||
|
|
C selection of the machine-dependent constants.
|
||
|
|
C
|
||
|
|
C*******************************************************************
|
||
|
|
C*******************************************************************
|
||
|
|
C
|
||
|
|
C Explanation of machine-dependent constants
|
||
|
|
C
|
||
|
|
C XMIN = the smallest positive floating-point number.
|
||
|
|
C XINF = the largest positive finite floating-point number.
|
||
|
|
C XNEG = the largest negative argument acceptable to ERFCX;
|
||
|
|
C the negative of the solution to the equation
|
||
|
|
C 2*exp(x*x) = XINF.
|
||
|
|
C XSMALL = argument below which erf(x) may be represented by
|
||
|
|
C 2*x/sqrt(pi) and above which x*x will not underflow.
|
||
|
|
C A conservative value is the largest machine number X
|
||
|
|
C such that 1.0 + X = 1.0 to machine precision.
|
||
|
|
C XBIG = largest argument acceptable to ERFC; solution to
|
||
|
|
C the equation: W(x) * (1-0.5/x**2) = XMIN, where
|
||
|
|
C W(x) = exp(-x*x)/[x*sqrt(pi)].
|
||
|
|
C XHUGE = argument above which 1.0 - 1/(2*x*x) = 1.0 to
|
||
|
|
C machine precision. A conservative value is
|
||
|
|
C 1/[2*sqrt(XSMALL)]
|
||
|
|
C XMAX = largest acceptable argument to ERFCX; the minimum
|
||
|
|
C of XINF and 1/[sqrt(pi)*XMIN].
|
||
|
|
C
|
||
|
|
C Approximate values for some important machines are:
|
||
|
|
C
|
||
|
|
C XMIN XINF XNEG XSMALL
|
||
|
|
C
|
||
|
|
C C 7600 (S.P.) 3.13E-294 1.26E+322 -27.220 7.11E-15
|
||
|
|
C CRAY-1 (S.P.) 4.58E-2467 5.45E+2465 -75.345 7.11E-15
|
||
|
|
C IEEE (IBM/XT,
|
||
|
|
C SUN, etc.) (S.P.) 1.18E-38 3.40E+38 -9.382 5.96E-8
|
||
|
|
C IEEE (IBM/XT,
|
||
|
|
C SUN, etc.) (D.P.) 2.23D-308 1.79D+308 -26.628 1.11D-16
|
||
|
|
C IBM 195 (D.P.) 5.40D-79 7.23E+75 -13.190 1.39D-17
|
||
|
|
C UNIVAC 1108 (D.P.) 2.78D-309 8.98D+307 -26.615 1.73D-18
|
||
|
|
C VAX D-Format (D.P.) 2.94D-39 1.70D+38 -9.345 1.39D-17
|
||
|
|
C VAX G-Format (D.P.) 5.56D-309 8.98D+307 -26.615 1.11D-16
|
||
|
|
C
|
||
|
|
C
|
||
|
|
C XBIG XHUGE XMAX
|
||
|
|
C
|
||
|
|
C C 7600 (S.P.) 25.922 8.39E+6 1.80X+293
|
||
|
|
C CRAY-1 (S.P.) 75.326 8.39E+6 5.45E+2465
|
||
|
|
C IEEE (IBM/XT,
|
||
|
|
C SUN, etc.) (S.P.) 9.194 2.90E+3 4.79E+37
|
||
|
|
C IEEE (IBM/XT,
|
||
|
|
C SUN, etc.) (D.P.) 26.543 6.71D+7 2.53D+307
|
||
|
|
C IBM 195 (D.P.) 13.306 1.90D+8 7.23E+75
|
||
|
|
C UNIVAC 1108 (D.P.) 26.582 5.37D+8 8.98D+307
|
||
|
|
C VAX D-Format (D.P.) 9.269 1.90D+8 1.70D+38
|
||
|
|
C VAX G-Format (D.P.) 26.569 6.71D+7 8.98D+307
|
||
|
|
C
|
||
|
|
C*******************************************************************
|
||
|
|
C*******************************************************************
|
||
|
|
C
|
||
|
|
C Error returns
|
||
|
|
C
|
||
|
|
C The program returns ERFC = 0 for ARG .GE. XBIG;
|
||
|
|
C
|
||
|
|
C ERFCX = XINF for ARG .LT. XNEG;
|
||
|
|
C and
|
||
|
|
C ERFCX = 0 for ARG .GE. XMAX.
|
||
|
|
C
|
||
|
|
C
|
||
|
|
C Intrinsic functions required are:
|
||
|
|
C
|
||
|
|
C ABS, AINT, EXP
|
||
|
|
C
|
||
|
|
C
|
||
|
|
C Author: W. J. Cody
|
||
|
|
C Mathematics and Computer Science Division
|
||
|
|
C Argonne National Laboratory
|
||
|
|
C Argonne, IL 60439
|
||
|
|
C
|
||
|
|
C Latest modification: March 19, 1990
|
||
|
|
C Updated to F90 by pab 23.03.2003
|
||
|
|
C
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
DOUBLE PRECISION, INTENT(IN) :: ARG
|
||
|
|
INTEGER, INTENT(IN) :: JINT
|
||
|
|
DOUBLE PRECISION, INTENT(INOUT):: RESULT
|
||
|
|
! Local variables
|
||
|
|
INTEGER :: I
|
||
|
|
DOUBLE PRECISION :: DEL,X,XDEN,XNUM,Y,YSQ
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C Mathematical constants
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
DOUBLE PRECISION, PARAMETER :: ZERO = 0.0D0
|
||
|
|
DOUBLE PRECISION, PARAMETER :: HALF = 0.05D0
|
||
|
|
DOUBLE PRECISION, PARAMETER :: ONE = 1.0D0
|
||
|
|
DOUBLE PRECISION, PARAMETER :: TWO = 2.0D0
|
||
|
|
DOUBLE PRECISION, PARAMETER :: FOUR = 4.0D0
|
||
|
|
DOUBLE PRECISION, PARAMETER :: SIXTEN = 16.0D0
|
||
|
|
DOUBLE PRECISION, PARAMETER :: SQRPI = 5.6418958354775628695D-1
|
||
|
|
DOUBLE PRECISION, PARAMETER :: THRESH = 0.46875D0
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C Machine-dependent constants
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
DOUBLE PRECISION, PARAMETER :: XNEG = -26.628D0
|
||
|
|
DOUBLE PRECISION, PARAMETER :: XSMALL = 1.11D-16
|
||
|
|
DOUBLE PRECISION, PARAMETER :: XBIG = 26.543D0
|
||
|
|
DOUBLE PRECISION, PARAMETER :: XHUGE = 6.71D7
|
||
|
|
DOUBLE PRECISION, PARAMETER :: XMAX = 2.53D307
|
||
|
|
DOUBLE PRECISION, PARAMETER :: XINF = 1.79D308
|
||
|
|
!---------------------------------------------------------------
|
||
|
|
! Coefficents to the rational polynomials
|
||
|
|
!--------------------------------------------------------------
|
||
|
|
DOUBLE PRECISION, DIMENSION(5) :: A, Q
|
||
|
|
DOUBLE PRECISION, DIMENSION(4) :: B
|
||
|
|
DOUBLE PRECISION, DIMENSION(9) :: C
|
||
|
|
DOUBLE PRECISION, DIMENSION(8) :: D
|
||
|
|
DOUBLE PRECISION, DIMENSION(6) :: P
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C Coefficients for approximation to erf in first interval
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
PARAMETER (A = (/ 3.16112374387056560D00,
|
||
|
|
& 1.13864154151050156D02,3.77485237685302021D02,
|
||
|
|
& 3.20937758913846947D03, 1.85777706184603153D-1/))
|
||
|
|
PARAMETER ( B = (/2.36012909523441209D01,2.44024637934444173D02,
|
||
|
|
& 1.28261652607737228D03,2.84423683343917062D03/))
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C Coefficients for approximation to erfc in second interval
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
PARAMETER ( C=(/5.64188496988670089D-1,8.88314979438837594D0,
|
||
|
|
1 6.61191906371416295D01,2.98635138197400131D02,
|
||
|
|
2 8.81952221241769090D02,1.71204761263407058D03,
|
||
|
|
3 2.05107837782607147D03,1.23033935479799725D03,
|
||
|
|
4 2.15311535474403846D-8/))
|
||
|
|
PARAMETER ( D =(/1.57449261107098347D01,1.17693950891312499D02,
|
||
|
|
1 5.37181101862009858D02,1.62138957456669019D03,
|
||
|
|
2 3.29079923573345963D03,4.36261909014324716D03,
|
||
|
|
3 3.43936767414372164D03,1.23033935480374942D03/))
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C Coefficients for approximation to erfc in third interval
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
PARAMETER ( P =(/3.05326634961232344D-1,3.60344899949804439D-1,
|
||
|
|
1 1.25781726111229246D-1,1.60837851487422766D-2,
|
||
|
|
2 6.58749161529837803D-4,1.63153871373020978D-2/))
|
||
|
|
PARAMETER (Q =(/2.56852019228982242D00,1.87295284992346047D00,
|
||
|
|
1 5.27905102951428412D-1,6.05183413124413191D-2,
|
||
|
|
2 2.33520497626869185D-3/))
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
X = ARG
|
||
|
|
Y = ABS(X)
|
||
|
|
IF (Y .LE. THRESH) THEN
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C Evaluate erf for |X| <= 0.46875
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
!YSQ = ZERO
|
||
|
|
IF (Y .GT. XSMALL) THEN
|
||
|
|
YSQ = Y * Y
|
||
|
|
XNUM = A(5)*YSQ
|
||
|
|
XDEN = YSQ
|
||
|
|
DO I = 1, 3
|
||
|
|
XNUM = (XNUM + A(I)) * YSQ
|
||
|
|
XDEN = (XDEN + B(I)) * YSQ
|
||
|
|
END DO
|
||
|
|
RESULT = X * (XNUM + A(4)) / (XDEN + B(4))
|
||
|
|
ELSE
|
||
|
|
RESULT = X * A(4) / B(4)
|
||
|
|
ENDIF
|
||
|
|
IF (JINT .NE. 0) RESULT = ONE - RESULT
|
||
|
|
IF (JINT .EQ. 2) RESULT = EXP(YSQ) * RESULT
|
||
|
|
GO TO 800
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C Evaluate erfc for 0.46875 <= |X| <= 4.0
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
ELSE IF (Y .LE. FOUR) THEN
|
||
|
|
XNUM = C(9)*Y
|
||
|
|
XDEN = Y
|
||
|
|
DO I = 1, 7
|
||
|
|
XNUM = (XNUM + C(I)) * Y
|
||
|
|
XDEN = (XDEN + D(I)) * Y
|
||
|
|
END DO
|
||
|
|
RESULT = (XNUM + C(8)) / (XDEN + D(8))
|
||
|
|
IF (JINT .NE. 2) THEN
|
||
|
|
YSQ = AINT(Y*SIXTEN)/SIXTEN
|
||
|
|
DEL = (Y-YSQ)*(Y+YSQ)
|
||
|
|
RESULT = EXP(-YSQ*YSQ) * EXP(-DEL) * RESULT
|
||
|
|
END IF
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C Evaluate erfc for |X| > 4.0
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
ELSE
|
||
|
|
RESULT = ZERO
|
||
|
|
IF (Y .GE. XBIG) THEN
|
||
|
|
IF ((JINT .NE. 2) .OR. (Y .GE. XMAX)) GO TO 300
|
||
|
|
IF (Y .GE. XHUGE) THEN
|
||
|
|
RESULT = SQRPI / Y
|
||
|
|
GO TO 300
|
||
|
|
END IF
|
||
|
|
END IF
|
||
|
|
YSQ = ONE / (Y * Y)
|
||
|
|
XNUM = P(6)*YSQ
|
||
|
|
XDEN = YSQ
|
||
|
|
DO I = 1, 4
|
||
|
|
XNUM = (XNUM + P(I)) * YSQ
|
||
|
|
XDEN = (XDEN + Q(I)) * YSQ
|
||
|
|
ENDDO
|
||
|
|
RESULT = YSQ *(XNUM + P(5)) / (XDEN + Q(5))
|
||
|
|
RESULT = (SQRPI - RESULT) / Y
|
||
|
|
IF (JINT .NE. 2) THEN
|
||
|
|
YSQ = AINT(Y*SIXTEN)/SIXTEN
|
||
|
|
DEL = (Y-YSQ)*(Y+YSQ)
|
||
|
|
RESULT = EXP(-YSQ*YSQ) * EXP(-DEL) * RESULT
|
||
|
|
END IF
|
||
|
|
END IF
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
C Fix up for negative argument, erf, etc.
|
||
|
|
C------------------------------------------------------------------
|
||
|
|
300 IF (JINT .EQ. 0) THEN
|
||
|
|
RESULT = (HALF - RESULT) + HALF
|
||
|
|
IF (X .LT. ZERO) RESULT = -RESULT
|
||
|
|
ELSE IF (JINT .EQ. 1) THEN
|
||
|
|
IF (X .LT. ZERO) RESULT = TWO - RESULT
|
||
|
|
ELSE
|
||
|
|
IF (X .LT. ZERO) THEN
|
||
|
|
IF (X .LT. XNEG) THEN
|
||
|
|
RESULT = XINF
|
||
|
|
ELSE
|
||
|
|
YSQ = AINT(X*SIXTEN)/SIXTEN
|
||
|
|
DEL = (X-YSQ)*(X+YSQ)
|
||
|
|
Y = EXP(YSQ*YSQ) * EXP(DEL)
|
||
|
|
RESULT = (Y+Y) - RESULT
|
||
|
|
END IF
|
||
|
|
END IF
|
||
|
|
END IF
|
||
|
|
800 RETURN
|
||
|
|
END SUBROUTINE CALERF
|
||
|
|
END MODULE ERFCOREMOD
|