exchanged TINY (from prec) with intrinsic "tiny" function (Fortran90)
This commit is contained in:
Philip Eisenlohr
parent
a41a4a75ef
commit
cfaa0e696d
250
trunk/math.f90
250
trunk/math.f90
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@ -3,6 +3,7 @@
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MODULE math
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!##############################################################
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use prec, only: pReal,pInt
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implicit none
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@ -15,6 +16,7 @@
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1.0_pReal,0.0_pReal,0.0_pReal, &
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0.0_pReal,1.0_pReal,0.0_pReal, &
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0.0_pReal,0.0_pReal,1.0_pReal /),(/3,3/))
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! *** Mandel notation ***
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integer(pInt), dimension (2,6), parameter :: mapMandel = &
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reshape((/&
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@ -25,10 +27,12 @@
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2,3, &
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1,3 &
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/),(/2,6/))
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real(pReal), dimension(6), parameter :: nrmMandel = &
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(/1.0_pReal,1.0_pReal,1.0_pReal, 1.414213562373095_pReal, 1.414213562373095_pReal, 1.414213562373095_pReal/)
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real(pReal), dimension(6), parameter :: invnrmMandel = &
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(/1.0_pReal,1.0_pReal,1.0_pReal,0.7071067811865476_pReal,0.7071067811865476_pReal,0.7071067811865476_pReal/)
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! *** Voigt notation ***
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integer(pInt), dimension (2,6), parameter :: mapVoigt = &
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reshape((/&
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@ -39,10 +43,26 @@
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1,3, &
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1,2 &
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/),(/2,6/))
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real(pReal), dimension(6), parameter :: nrmVoigt = &
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(/1.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal/)
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(/1.0_pReal,1.0_pReal,1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal/)
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real(pReal), dimension(6), parameter :: invnrmVoigt = &
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(/1.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal/)
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(/1.0_pReal,1.0_pReal,1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal/)
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! *** Plain notation ***
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integer(pInt), dimension (2,9), parameter :: mapPlain = &
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reshape((/&
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1,1, &
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1,2, &
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1,3, &
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2,1, &
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2,2, &
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2,3, &
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3,1, &
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3,2, &
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3,3 &
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/),(/2,9/))
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CONTAINS
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@ -96,7 +116,9 @@
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d = size(a,1) ! number of linked data
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! set the starting and ending points, and the pivot point
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i = istart
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j = iend
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x = a(1,istart)
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do
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@ -164,13 +186,13 @@
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END FUNCTION
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!**************************************************************************
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! Cramer inversion of 3x3 matrix
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!**************************************************************************
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SUBROUTINE math_invert3x3(A, InvA, DetA, error)
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! Bestimmung der Determinanten und Inversen einer 3x3-Matrix
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! A = Matrix A
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! InvA = Inverse of A
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! DetA = Determinant of A
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@ -180,6 +202,7 @@
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implicit none
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logical, intent(out) :: error
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real(pReal),dimension(3,3),intent(in) :: A
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real(pReal),dimension(3,3),intent(out) :: InvA
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real(pReal), intent(out) :: DetA
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@ -188,7 +211,7 @@
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- A(1,2) * ( A(2,1) * A(3,3) - A(2,3) * A(3,1) )&
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+ A(1,3) * ( A(2,1) * A(3,2) - A(2,2) * A(3,1) )
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if (DetA <= 0.0000001) then
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if (DetA <= tiny(DetA)) then
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error = .true.
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else
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InvA(1,1) = ( A(2,2) * A(3,3) - A(2,3) * A(3,2) ) / DetA
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@ -210,13 +233,13 @@
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END SUBROUTINE
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!**************************************************************************
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! Gauss elimination to invert 6x6 matrix
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!**************************************************************************
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SUBROUTINE math_invert6x6(A, InvA, AnzNegEW, error)
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! Invertieren einer 6x6-Matrix
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SUBROUTINE math_invert(dimen,A, InvA, AnzNegEW, error)
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! Invertieren einer dimen x dimen - Matrix
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! A = Matrix A
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! InvA = Inverse von A
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! AnzNegEW = Anzahl der negativen Eigenwerte von A
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@ -228,44 +251,42 @@
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use prec, only: pReal,pInt
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implicit none
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real(pReal),dimension(6,6), intent(in) :: A
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real(pReal),dimension(6,6), intent(out) :: InvA
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integer(pInt), intent(in) :: dimen
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real(pReal),dimension(dimen,dimen), intent(in) :: A
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real(pReal),dimension(dimen,dimen), intent(out) :: InvA
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integer(pInt), intent(out) :: AnzNegEW
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logical, intent(out) :: error
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integer(pInt) i
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real(pReal) LogAbsDetA
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real(pReal),dimension(6,6) :: B
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real(pReal),dimension(dimen,dimen) :: B
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InvA = 0.0_pReal
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forall(i = 1:6) InvA(i,i) = 1.0_pReal
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InvA = math_identity2nd(dimen)
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B = A
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CALL Gauss (B,InvA,LogAbsDetA,AnzNegEW,error)
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CALL Gauss(dimen,B,InvA,LogAbsDetA,AnzNegEW,error)
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RETURN
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END SUBROUTINE math_invert6x6
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END SUBROUTINE math_invert
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! ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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! ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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SUBROUTINE Gauss (A,B,LogAbsDetA,NegHDK,error)
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SUBROUTINE Gauss (dimen,A,B,LogAbsDetA,NegHDK,error)
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! Loesung eines linearen Gleichungsssystem A * X = B mit Hilfe des
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! GAUSS-Algorithmusses
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! GAUSS-Algorithmus
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! Zur numerischen Stabilisierung wird eine Zeilen- und Spaltenpivotsuche
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! durchgefuehrt.
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! Eingabeparameter:
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!
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! A(6,6) = Koeffizientenmatrix A
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! B(6,6) = rechte Seiten B
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! A(dimen,dimen) = Koeffizientenmatrix A
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! B(dimen,dimen) = rechte Seiten B
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!
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! Ausgabeparameter:
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!
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! B(6,6) = Matrix der Unbekanntenvektoren X
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! B(dimen,dimen) = Matrix der Unbekanntenvektoren X
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! LogAbsDetA = 10-Logarithmus des Betrages der Determinanten von A
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! NegHDK = Anzahl der negativen Hauptdiagonalkoeffizienten nach der
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! Vorwaertszerlegung
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@ -279,18 +300,19 @@
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implicit none
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logical error
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integer (pInt) NegHDK
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integer (pInt) dimen,NegHDK
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real(pReal) LogAbsDetA
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real(pReal) A(6,6), B(6,6)
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real(pReal) A(dimen,dimen), B(dimen,dimen)
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INTENT (IN) dimen
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INTENT (OUT) LogAbsDetA, NegHDK, error
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INTENT (INOUT) A, B
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LOGICAL SortX
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integer (pInt) PivotZeile, PivotSpalte, StoreI, I, IP1, J, K, L
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integer (pInt) XNr(6)
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integer (pInt) XNr(dimen)
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real(pReal) AbsA, PivotWert, EpsAbs, Quote
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real(pReal) StoreA(6), StoreB(6)
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real(pReal) StoreA(dimen), StoreB(dimen)
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error = .true.
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NegHDK = 1
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@ -298,7 +320,7 @@
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! Unbekanntennumerierung
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DO I = 1, 6
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DO I = 1, dimen
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XNr(I) = I
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END DO
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@ -308,8 +330,8 @@
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PivotZeile = 1
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PivotSpalte = 1
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DO I = 1, 6
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DO J = 1, 6
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DO I = 1, dimen
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DO J = 1, dimen
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AbsA = ABS(A(I,J))
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IF (AbsA .GT. PivotWert) THEN
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PivotWert = AbsA
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@ -325,61 +347,44 @@
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! V O R W A E R T S T R I A N G U L A T I O N
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DO I = 1, 6 - 1
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DO I = 1, dimen - 1
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! Zeilentausch?
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IF (PivotZeile .NE. I) THEN
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StoreA(I:6) = A(I,I:6)
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A(I,I:6) = A(PivotZeile,I:6)
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A(PivotZeile,I:6) = StoreA(I:6)
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StoreB(1:6) = B(I,1:6)
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B(I,1:6) = B(PivotZeile,1:6)
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B(PivotZeile,1:6) = StoreB(1:6)
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StoreA(I:dimen) = A(I,I:dimen)
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A(I,I:dimen) = A(PivotZeile,I:dimen)
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A(PivotZeile,I:dimen) = StoreA(I:dimen)
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StoreB(1:dimen) = B(I,1:dimen)
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B(I,1:dimen) = B(PivotZeile,1:dimen)
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B(PivotZeile,1:dimen) = StoreB(1:dimen)
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SortX = .TRUE.
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END IF
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! Spaltentausch?
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IF (PivotSpalte .NE. I) THEN
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StoreA(1:6) = A(1:6,I)
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A(1:6,I) = A(1:6,PivotSpalte)
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A(1:6,PivotSpalte) = StoreA(1:6)
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StoreA(1:dimen) = A(1:dimen,I)
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A(1:dimen,I) = A(1:dimen,PivotSpalte)
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A(1:dimen,PivotSpalte) = StoreA(1:dimen)
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StoreI = XNr(I)
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XNr(I) = XNr(PivotSpalte)
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XNr(PivotSpalte) = StoreI
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SortX = .TRUE.
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END IF
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! Triangulation
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DO J = I + 1, 6
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DO J = I + 1, dimen
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Quote = A(J,I) / A(I,I)
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DO K = I + 1, 6
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DO K = I + 1, dimen
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A(J,K) = A(J,K) - Quote * A(I,K)
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END DO
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DO K = 1, 6
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DO K = 1, dimen
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B(J,K) = B(J,K) - Quote * B(I,K)
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END DO
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END DO
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! Bestimmung des groessten Pivotelementes
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IP1 = I + 1
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PivotWert = ABS(A(IP1,IP1))
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PivotZeile = IP1
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PivotSpalte = IP1
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DO J = IP1, 6
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DO K = IP1, 6
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DO J = IP1, dimen
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DO K = IP1, dimen
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AbsA = ABS(A(J,K))
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IF (AbsA .GT. PivotWert) THEN
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PivotWert = AbsA
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@ -395,9 +400,9 @@
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! R U E C K W A E R T S A U F L O E S U N G
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DO I = 6, 1, -1
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DO L = 1, 6
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DO J = I + 1, 6
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DO I = dimen, 1, -1
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DO L = 1, dimen
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DO J = I + 1, dimen
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B(I,L) = B(I,L) - A(I,J) * B(J,L)
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END DO
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B(I,L) = B(I,L) / A(I,I)
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@ -407,10 +412,9 @@
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! Sortieren der Unbekanntenvektoren?
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IF (SortX) THEN
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DO L = 1, 6
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StoreA(1:6) = B(1:6,L)
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DO I = 1, 6
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DO L = 1, dimen
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StoreA(1:dimen) = B(1:dimen,L)
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DO I = 1, dimen
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J = XNr(I)
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B(J,L) = StoreA(I)
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END DO
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@ -422,7 +426,7 @@
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LogAbsDetA = 0.0_pReal
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NegHDK = 0
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DO I = 1, 6
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DO I = 1, dimen
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IF (A(I,I) .LT. 0.0_pReal) NegHDK = NegHDK + 1
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AbsA = ABS(A(I,I))
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LogAbsDetA = LogAbsDetA + LOG10(AbsA)
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@ -435,6 +439,41 @@
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END SUBROUTINE Gauss
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!********************************************************************
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! symmetrize a 3x3 matrix
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!********************************************************************
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FUNCTION math_symmetric3x3(m)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(3,3) :: math_symmetric3x3,m
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integer(pInt) i,j
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forall (i=1:3,j=1:3) math_symmetric3x3(i,j) = 1.0_pReal/2.0_pReal * &
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(m(i,j) + m(j,i))
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END FUNCTION
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!********************************************************************
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! symmetrize a 6x6 matrix
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!********************************************************************
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FUNCTION math_symmetric6x6(m)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(6,6) :: math_symmetric6x6,m
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integer(pInt) i,j
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forall (i=1:6,j=1:6) math_symmetric6x6(i,j) = 1.0_pReal/2.0_pReal * &
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(m(i,j) + m(j,i))
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END FUNCTION
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!********************************************************************
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! determinant of a 3x3 matrix
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!********************************************************************
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@ -453,6 +492,42 @@
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END FUNCTION
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!********************************************************************
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! convert 3x3 matrix into vector 9x1
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!********************************************************************
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FUNCTION math_Plain33to9(m33)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(3,3) :: m33
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real(pReal), dimension(9) :: math_Plain33to9
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integer(pInt) i
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forall (i=1:9) math_Plain33to9(i) = m33(mapPlain(1,i),mapPlain(2,i))
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return
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END FUNCTION
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!********************************************************************
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! convert Plain 9x1 back to 3x3 matrix
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!********************************************************************
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FUNCTION math_Plain9to33(v9)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(9) :: v9
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real(pReal), dimension(3,3) :: math_Plain9to33
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integer(pInt) i
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forall (i=1:9) math_Plain9to33(mapPlain(1,i),mapPlain(2,i)) = v9(i)
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return
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END FUNCTION
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!********************************************************************
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! convert symmetric 3x3 matrix into Mandel vector 6x1
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!********************************************************************
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@ -492,6 +567,25 @@
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END FUNCTION
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!********************************************************************
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! convert 3x3x3x3 tensor into plain matrix 9x9
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!********************************************************************
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FUNCTION math_Plain3333to99(m3333)
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use prec, only: pReal,pInt
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implicit none
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real(pReal), dimension(3,3,3,3) :: m3333
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real(pReal), dimension(9,9) :: math_Plain3333to99
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integer(pInt) i,j
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forall (i=1:9,j=1:9) math_Plain3333to99(i,j) = &
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m3333(mapPlain(1,i),mapPlain(2,i),mapPlain(1,j),mapPlain(2,j))
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return
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END FUNCTION
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!********************************************************************
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! convert symmetric 3x3x3x3 tensor into Mandel matrix 6x6
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!********************************************************************
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@ -534,6 +628,7 @@
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END FUNCTION
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!********************************************************************
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! convert Voigt matrix 6x6 back to symmetric 3x3x3x3 tensor
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!********************************************************************
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@ -557,6 +652,7 @@
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END FUNCTION
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!********************************************************************
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! Euler angles from orientation matrix
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!********************************************************************
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@ -726,11 +822,16 @@
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real(pReal) noise,scatter,cosScatter
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integer(pInt) i
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if (noise==0.0) then
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math_sampleGaussOri = center
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return
|
||||
|
||||
endif
|
||||
|
||||
|
||||
! Helming uses different distribution with Bessel functions
|
||||
! therefore the gauss scatter width has to be scaled differently
|
||||
scatter = 0.95_pReal * noise
|
||||
|
|
@ -824,10 +925,16 @@ endif
|
|||
END FUNCTION
|
||||
|
||||
|
||||
|
||||
|
||||
!********************************************************************
|
||||
|
||||
! symmetric Euler angles for given symmetry string
|
||||
|
||||
! 'triclinic' or '', 'monoclinic', 'orthotropic'
|
||||
|
||||
!********************************************************************
|
||||
|
||||
PURE FUNCTION math_symmetricEulers(sym,Euler)
|
||||
|
||||
use prec, only: pReal, pInt
|
||||
|
|
@ -857,14 +964,17 @@ endif
|
|||
|
||||
case ('monoclinic') ! return only first
|
||||
math_symmetricEulers(:,2:3) = 0.0_pReal
|
||||
|
||||
case default ! return blank
|
||||
math_symmetricEulers = 0.0_pReal
|
||||
end select
|
||||
|
||||
return
|
||||
|
||||
END FUNCTION
|
||||
|
||||
|
||||
|
||||
!****************************************************************
|
||||
subroutine math_pDecomposition(FE,U,R,error)
|
||||
!-----FE=RU
|
||||
|
|
|
|||
Loading…
Reference in New Issue