223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

should not differ from development

This commit is contained in:
Martin Diehl 2018-09-14 05:37:17 +02:00
parent 033d028061
commit 989393e6e8
1 changed files with 20 additions and 20 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

40
src/math.f90
View File

@ -12,7 +12,7 @@ module math
implicit none implicit none
private private
real(pReal), parameter, public :: PI = 3.141592653589793_pReal !< ratio of a circle's circumference to its diameter real(pReal), parameter, public :: PI = acos(-1.0_pReal) !< ratio of a circle's circumference to its diameter
real(pReal), parameter, public :: INDEG = 180.0_pReal/PI !< conversion from radian into degree real(pReal), parameter, public :: INDEG = 180.0_pReal/PI !< conversion from radian into degree
real(pReal), parameter, public :: INRAD = PI/180.0_pReal !< conversion from degree into radian real(pReal), parameter, public :: INRAD = PI/180.0_pReal !< conversion from degree into radian
complex(pReal), parameter, public :: TWOPIIMG = (0.0_pReal,2.0_pReal)*(PI,0.0_pReal) !< Re(0.0), Im(2xPi) complex(pReal), parameter, public :: TWOPIIMG = (0.0_pReal,2.0_pReal)*(PI,0.0_pReal) !< Re(0.0), Im(2xPi)
@ -36,13 +36,13 @@ module math
real(pReal), dimension(6), parameter, private :: & real(pReal), dimension(6), parameter, private :: &
nrmMandel = [& nrmMandel = [&
1.0_pReal, 1.0_pReal, 1.0_pReal,& 1.0_pReal, 1.0_pReal, 1.0_pReal, &
1.414213562373095_pReal, 1.414213562373095_pReal, 1.414213562373095_pReal ] !< weighting for Mandel notation (forward) sqrt(2.0_pReal), sqrt(2.0_pReal), sqrt(2.0_pReal) ] !< weighting for Mandel notation (forward)
real(pReal), dimension(6), parameter , public :: & real(pReal), dimension(6), parameter , public :: &
invnrmMandel = [& invnrmMandel = [&
1.0_pReal, 1.0_pReal, 1.0_pReal,& 1.0_pReal, 1.0_pReal, 1.0_pReal, &
0.7071067811865476_pReal, 0.7071067811865476_pReal, 0.7071067811865476_pReal ] !< weighting for Mandel notation (backward) 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal) ] !< weighting for Mandel notation (backward)
integer(pInt), dimension (2,6), parameter, private :: & integer(pInt), dimension (2,6), parameter, private :: &
mapVoigt = reshape([& mapVoigt = reshape([&
@ -160,7 +160,7 @@ module math
math_rotate_forward33, & math_rotate_forward33, &
math_rotate_backward33, & math_rotate_backward33, &
math_rotate_forward3333, & math_rotate_forward3333, &
math_limit math_clip
private :: & private :: &
math_check, & math_check, &
halton halton
@ -1366,16 +1366,16 @@ pure function math_RtoEuler(R)
sqhk =sqrt(R(1,3)*R(1,3)+R(2,3)*R(2,3)) sqhk =sqrt(R(1,3)*R(1,3)+R(2,3)*R(2,3))
! calculate PHI ! calculate PHI
math_RtoEuler(2) = acos(math_limit(R(3,3)/sqhkl,-1.0_pReal, 1.0_pReal)) math_RtoEuler(2) = acos(math_clip(R(3,3)/sqhkl,-1.0_pReal, 1.0_pReal))
if((math_RtoEuler(2) < 1.0e-8_pReal) .or. (pi-math_RtoEuler(2) < 1.0e-8_pReal)) then if((math_RtoEuler(2) < 1.0e-8_pReal) .or. (pi-math_RtoEuler(2) < 1.0e-8_pReal)) then
math_RtoEuler(3) = 0.0_pReal math_RtoEuler(3) = 0.0_pReal
math_RtoEuler(1) = acos(math_limit(R(1,1)/squvw, -1.0_pReal, 1.0_pReal)) math_RtoEuler(1) = acos(math_clip(R(1,1)/squvw, -1.0_pReal, 1.0_pReal))
if(R(2,1) > 0.0_pReal) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1) if(R(2,1) > 0.0_pReal) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1)
else else
math_RtoEuler(3) = acos(math_limit(R(2,3)/sqhk, -1.0_pReal, 1.0_pReal)) math_RtoEuler(3) = acos(math_clip(R(2,3)/sqhk, -1.0_pReal, 1.0_pReal))
if(R(1,3) < 0.0) math_RtoEuler(3) = 2.0_pReal*pi-math_RtoEuler(3) if(R(1,3) < 0.0) math_RtoEuler(3) = 2.0_pReal*pi-math_RtoEuler(3)
math_RtoEuler(1) = acos(math_limit(-R(3,2)/sin(math_RtoEuler(2)), -1.0_pReal, 1.0_pReal)) math_RtoEuler(1) = acos(math_clip(-R(3,2)/sin(math_RtoEuler(2)), -1.0_pReal, 1.0_pReal))
if(R(3,1) < 0.0) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1) if(R(3,1) < 0.0) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1)
end if end if
@ -1657,7 +1657,7 @@ pure function math_qToEuler(qPassive)
math_qToEuler(2) = acos(1.0_pReal-2.0_pReal*(q(2)**2+q(3)**2)) math_qToEuler(2) = acos(1.0_pReal-2.0_pReal*(q(2)**2+q(3)**2))
if (abs(math_qToEuler(2)) < 1.0e-6_pReal) then if (abs(math_qToEuler(2)) < 1.0e-6_pReal) then
math_qToEuler(1) = sign(2.0_pReal*acos(math_limit(q(1),-1.0_pReal, 1.0_pReal)),q(4)) math_qToEuler(1) = sign(2.0_pReal*acos(math_clip(q(1),-1.0_pReal, 1.0_pReal)),q(4))
math_qToEuler(3) = 0.0_pReal math_qToEuler(3) = 0.0_pReal
else else
math_qToEuler(1) = atan2(+q(1)*q(3)+q(2)*q(4), q(1)*q(2)-q(3)*q(4)) math_qToEuler(1) = atan2(+q(1)*q(3)+q(2)*q(4), q(1)*q(2)-q(3)*q(4))
@ -1684,7 +1684,7 @@ pure function math_qToAxisAngle(Q)
real(pReal) :: halfAngle, sinHalfAngle real(pReal) :: halfAngle, sinHalfAngle
real(pReal), dimension(4) :: math_qToAxisAngle real(pReal), dimension(4) :: math_qToAxisAngle
halfAngle = acos(math_limit(Q(1),-1.0_pReal,1.0_pReal)) halfAngle = acos(math_clip(Q(1),-1.0_pReal,1.0_pReal))
sinHalfAngle = sin(halfAngle) sinHalfAngle = sin(halfAngle)
smallRotation: if (sinHalfAngle <= 1.0e-4_pReal) then smallRotation: if (sinHalfAngle <= 1.0e-4_pReal) then
@ -1744,7 +1744,7 @@ real(pReal) pure function math_EulerMisorientation(EulerA,EulerB)
cosTheta = (math_trace33(math_mul33x33(math_EulerToR(EulerB), & cosTheta = (math_trace33(math_mul33x33(math_EulerToR(EulerB), &
transpose(math_EulerToR(EulerA)))) - 1.0_pReal) * 0.5_pReal transpose(math_EulerToR(EulerA)))) - 1.0_pReal) * 0.5_pReal
math_EulerMisorientation = acos(math_limit(cosTheta,-1.0_pReal,1.0_pReal)) math_EulerMisorientation = acos(math_clip(cosTheta,-1.0_pReal,1.0_pReal))
end function math_EulerMisorientation end function math_EulerMisorientation
@ -2055,7 +2055,7 @@ function math_eigenvectorBasisSym33(m)
EB(3,3,3)=1.0_pReal EB(3,3,3)=1.0_pReal
else threeSimilarEigenvalues else threeSimilarEigenvalues
rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) phi=acos(math_clip(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal))
values = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* & values = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* &
[cos(phi/3.0_pReal), & [cos(phi/3.0_pReal), &
cos((phi+2.0_pReal*PI)/3.0_pReal), & cos((phi+2.0_pReal*PI)/3.0_pReal), &
@ -2120,7 +2120,7 @@ function math_eigenvectorBasisSym33_log(m)
EB(3,3,3)=1.0_pReal EB(3,3,3)=1.0_pReal
else threeSimilarEigenvalues else threeSimilarEigenvalues
rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) phi=acos(math_clip(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal))
values = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* & values = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* &
[cos(phi/3.0_pReal), & [cos(phi/3.0_pReal), &
cos((phi+2.0_pReal*PI)/3.0_pReal), & cos((phi+2.0_pReal*PI)/3.0_pReal), &
@ -2232,7 +2232,7 @@ function math_eigenvaluesSym33(m)
math_eigenvaluesSym33 = math_eigenvaluesSym(m) math_eigenvaluesSym33 = math_eigenvaluesSym(m)
else else
rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal
phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) phi=acos(math_clip(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal))
math_eigenvaluesSym33 = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* & math_eigenvaluesSym33 = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* &
[cos(phi/3.0_pReal), & [cos(phi/3.0_pReal), &
cos((phi+2.0_pReal*PI)/3.0_pReal), & cos((phi+2.0_pReal*PI)/3.0_pReal), &
@ -2617,7 +2617,7 @@ end function math_rotate_forward3333
!> @brief limits a scalar value to a certain range (either one or two sided) !> @brief limits a scalar value to a certain range (either one or two sided)
! Will return NaN if left > right ! Will return NaN if left > right
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
real(pReal) pure function math_limit(a, left, right) real(pReal) pure function math_clip(a, left, right)
use, intrinsic :: & use, intrinsic :: &
IEEE_arithmetic IEEE_arithmetic
@ -2626,14 +2626,14 @@ real(pReal) pure function math_limit(a, left, right)
real(pReal), intent(in), optional :: left, right real(pReal), intent(in), optional :: left, right
math_limit = min ( & math_clip = min ( &
max (merge(left, -huge(a), present(left)), a), & max (merge(left, -huge(a), present(left)), a), &
merge(right, huge(a), present(right)) & merge(right, huge(a), present(right)) &
) )
if (present(left) .and. present(right)) & if (present(left) .and. present(right)) &
math_limit = merge (IEEE_value(1.0_pReal,IEEE_quiet_NaN),math_limit, left>right) math_clip = merge (IEEE_value(1.0_pReal,IEEE_quiet_NaN),math_clip, left>right)
end function math_limit end function math_clip
end module math end module math