correct scaling for fluctuations
This commit is contained in:
Martin Diehl
parent
21bbba1575
commit
4ee484b6e7
|
|
@ -150,15 +150,9 @@ contains
|
||||||
!> Initializes FFTW.
|
!> Initializes FFTW.
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine utilities_init()
|
subroutine utilities_init()
|
||||||
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
|
|
||||||
use, intrinsic :: iso_fortran_env, only: &
|
|
||||||
compiler_version, &
|
|
||||||
compiler_options
|
|
||||||
#endif
|
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_error, &
|
IO_error, &
|
||||||
IO_warning, &
|
IO_warning, &
|
||||||
IO_timeStamp, &
|
|
||||||
IO_open_file
|
IO_open_file
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
spectral_derivative, &
|
spectral_derivative, &
|
||||||
|
|
@ -203,8 +197,6 @@ subroutine utilities_init()
|
||||||
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
|
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
|
||||||
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity, 46:37–53, 2013'
|
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity, 46:37–53, 2013'
|
||||||
write(6,'(a,/)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
|
write(6,'(a,/)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
|
||||||
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
||||||
#include "compilation_info.f90"
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! set debugging parameters
|
! set debugging parameters
|
||||||
|
|
@ -1033,31 +1025,31 @@ end function utilities_calculateRate
|
||||||
!> ensures that the average matches the aim
|
!> ensures that the average matches the aim
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
function utilities_forwardField(timeinc,field_lastInc,rate,aim)
|
function utilities_forwardField(timeinc,field_lastInc,rate,aim)
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid3, &
|
grid3, &
|
||||||
grid
|
grid
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
real(pReal), intent(in) :: &
|
real(pReal), intent(in) :: &
|
||||||
timeinc !< timeinc of current step
|
timeinc !< timeinc of current step
|
||||||
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
|
real(pReal), intent(in), dimension(3,3,grid(1),grid(2),grid3) :: &
|
||||||
field_lastInc, & !< initial field
|
field_lastInc, & !< initial field
|
||||||
rate !< rate by which to forward
|
rate !< rate by which to forward
|
||||||
real(pReal), intent(in), optional, dimension(3,3) :: &
|
real(pReal), intent(in), optional, dimension(3,3) :: &
|
||||||
aim !< average field value aim
|
aim !< average field value aim
|
||||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: &
|
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: &
|
||||||
utilities_forwardField
|
utilities_forwardField
|
||||||
real(pReal), dimension(3,3) :: fieldDiff !< <a + adot*t> - aim
|
real(pReal), dimension(3,3) :: fieldDiff !< <a + adot*t> - aim
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
|
|
||||||
utilities_forwardField = field_lastInc + rate*timeinc
|
utilities_forwardField = field_lastInc + rate*timeinc
|
||||||
if (present(aim)) then !< correct to match average
|
if (present(aim)) then !< correct to match average
|
||||||
fieldDiff = sum(sum(sum(utilities_forwardField,dim=5),dim=4),dim=3)*wgt
|
fieldDiff = sum(sum(sum(utilities_forwardField,dim=5),dim=4),dim=3)*wgt
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,fieldDiff,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,fieldDiff,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr)
|
||||||
fieldDiff = fieldDiff - aim
|
fieldDiff = fieldDiff - aim
|
||||||
utilities_forwardField = utilities_forwardField - &
|
utilities_forwardField = utilities_forwardField - &
|
||||||
spread(spread(spread(fieldDiff,3,grid(1)),4,grid(2)),5,grid3)
|
spread(spread(spread(fieldDiff,3,grid(1)),4,grid(2)),5,grid3)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
end function utilities_forwardField
|
end function utilities_forwardField
|
||||||
|
|
||||||
|
|
@ -1068,51 +1060,50 @@ end function utilities_forwardField
|
||||||
! standard approach
|
! standard approach
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
pure function utilities_getFreqDerivative(k_s)
|
pure function utilities_getFreqDerivative(k_s)
|
||||||
use math, only: &
|
use math, only: &
|
||||||
PI
|
PI
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
geomSize, &
|
geomSize, &
|
||||||
grid
|
grid
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt), intent(in), dimension(3) :: k_s !< indices of frequency
|
integer(pInt), intent(in), dimension(3) :: k_s !< indices of frequency
|
||||||
complex(pReal), dimension(3) :: utilities_getFreqDerivative
|
complex(pReal), dimension(3) :: utilities_getFreqDerivative
|
||||||
|
|
||||||
select case (spectral_derivative_ID)
|
select case (spectral_derivative_ID)
|
||||||
case (DERIVATIVE_CONTINUOUS_ID)
|
case (DERIVATIVE_CONTINUOUS_ID)
|
||||||
utilities_getFreqDerivative = cmplx(0.0_pReal, 2.0_pReal*PI*real(k_s,pReal)/geomSize,pReal)
|
utilities_getFreqDerivative = cmplx(0.0_pReal, 2.0_pReal*PI*real(k_s,pReal)/geomSize,pReal)
|
||||||
|
|
||||||
case (DERIVATIVE_CENTRAL_DIFF_ID)
|
case (DERIVATIVE_CENTRAL_DIFF_ID)
|
||||||
utilities_getFreqDerivative = cmplx(0.0_pReal, sin(2.0_pReal*PI*real(k_s,pReal)/real(grid,pReal)), pReal)/ &
|
utilities_getFreqDerivative = cmplx(0.0_pReal, sin(2.0_pReal*PI*real(k_s,pReal)/real(grid,pReal)), pReal)/ &
|
||||||
cmplx(2.0_pReal*geomSize/real(grid,pReal), 0.0_pReal, pReal)
|
cmplx(2.0_pReal*geomSize/real(grid,pReal), 0.0_pReal, pReal)
|
||||||
|
|
||||||
case (DERIVATIVE_FWBW_DIFF_ID)
|
case (DERIVATIVE_FWBW_DIFF_ID)
|
||||||
utilities_getFreqDerivative(1) = &
|
utilities_getFreqDerivative(1) = &
|
||||||
cmplx(cos(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)) - 1.0_pReal, &
|
cmplx(cos(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)) - 1.0_pReal, &
|
||||||
sin(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)), pReal)* &
|
sin(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)), pReal)* &
|
||||||
cmplx(cos(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)) + 1.0_pReal, &
|
cmplx(cos(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)) + 1.0_pReal, &
|
||||||
sin(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)), pReal)* &
|
sin(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)), pReal)* &
|
||||||
cmplx(cos(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)) + 1.0_pReal, &
|
cmplx(cos(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)) + 1.0_pReal, &
|
||||||
sin(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)), pReal)/ &
|
sin(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)), pReal)/ &
|
||||||
cmplx(4.0_pReal*geomSize(1)/real(grid(1),pReal), 0.0_pReal, pReal)
|
cmplx(4.0_pReal*geomSize(1)/real(grid(1),pReal), 0.0_pReal, pReal)
|
||||||
utilities_getFreqDerivative(2) = &
|
utilities_getFreqDerivative(2) = &
|
||||||
cmplx(cos(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)) + 1.0_pReal, &
|
cmplx(cos(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)) + 1.0_pReal, &
|
||||||
sin(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)), pReal)* &
|
sin(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)), pReal)* &
|
||||||
cmplx(cos(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)) - 1.0_pReal, &
|
cmplx(cos(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)) - 1.0_pReal, &
|
||||||
sin(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)), pReal)* &
|
sin(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)), pReal)* &
|
||||||
cmplx(cos(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)) + 1.0_pReal, &
|
cmplx(cos(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)) + 1.0_pReal, &
|
||||||
sin(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)), pReal)/ &
|
sin(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)), pReal)/ &
|
||||||
cmplx(4.0_pReal*geomSize(2)/real(grid(2),pReal), 0.0_pReal, pReal)
|
cmplx(4.0_pReal*geomSize(2)/real(grid(2),pReal), 0.0_pReal, pReal)
|
||||||
utilities_getFreqDerivative(3) = &
|
utilities_getFreqDerivative(3) = &
|
||||||
cmplx(cos(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)) + 1.0_pReal, &
|
cmplx(cos(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)) + 1.0_pReal, &
|
||||||
sin(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)), pReal)* &
|
sin(2.0_pReal*PI*real(k_s(1),pReal)/real(grid(1),pReal)), pReal)* &
|
||||||
cmplx(cos(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)) + 1.0_pReal, &
|
cmplx(cos(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)) + 1.0_pReal, &
|
||||||
sin(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)), pReal)* &
|
sin(2.0_pReal*PI*real(k_s(2),pReal)/real(grid(2),pReal)), pReal)* &
|
||||||
cmplx(cos(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)) - 1.0_pReal, &
|
cmplx(cos(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)) - 1.0_pReal, &
|
||||||
sin(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)), pReal)/ &
|
sin(2.0_pReal*PI*real(k_s(3),pReal)/real(grid(3),pReal)), pReal)/ &
|
||||||
cmplx(4.0_pReal*geomSize(3)/real(grid(3),pReal), 0.0_pReal, pReal)
|
cmplx(4.0_pReal*geomSize(3)/real(grid(3),pReal), 0.0_pReal, pReal)
|
||||||
|
end select
|
||||||
end select
|
|
||||||
|
|
||||||
end function utilities_getFreqDerivative
|
end function utilities_getFreqDerivative
|
||||||
|
|
||||||
|
|
@ -1123,59 +1114,60 @@ end function utilities_getFreqDerivative
|
||||||
! convolution
|
! convolution
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine utilities_updateIPcoords(F)
|
subroutine utilities_updateIPcoords(F)
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
cNeq
|
cNeq
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_error
|
IO_error
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_mul33x3
|
math_mul33x3
|
||||||
use mesh, only: &
|
use mesh, only: &
|
||||||
grid, &
|
grid, &
|
||||||
grid3, &
|
grid3, &
|
||||||
grid3Offset, &
|
grid3Offset, &
|
||||||
geomSize, &
|
geomSize, &
|
||||||
mesh_ipCoordinates
|
mesh_ipCoordinates
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
real(pReal), dimension(3,3,grid(1),grid(2),grid3), intent(in) :: F
|
real(pReal), dimension(3,3,grid(1),grid(2),grid3), intent(in) :: F
|
||||||
integer(pInt) :: i, j, k, m, ierr
|
integer(pInt) :: i, j, k, m, ierr
|
||||||
real(pReal), dimension(3) :: step, offset_coords
|
real(pReal), dimension(3) :: step, offset_coords
|
||||||
real(pReal), dimension(3,3) :: Favg
|
real(pReal), dimension(3,3) :: Favg
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! integration in Fourier space
|
! integration in Fourier space
|
||||||
tensorField_real = 0.0_pReal
|
tensorField_real = 0.0_pReal
|
||||||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = F
|
||||||
call utilities_FFTtensorForward()
|
call utilities_FFTtensorForward()
|
||||||
call utilities_fourierTensorDivergence()
|
call utilities_fourierTensorDivergence()
|
||||||
|
|
||||||
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid1Red
|
do k = 1_pInt, grid3; do j = 1_pInt, grid(2); do i = 1_pInt, grid1Red
|
||||||
if (any(cNeq(xi1st(1:3,i,j,k),cmplx(0.0_pReal,0.0_pReal)))) &
|
if (any(cNeq(xi1st(1:3,i,j,k),cmplx(0.0_pReal,0.0_pReal)))) &
|
||||||
vectorField_fourier(1:3,i,j,k) = vectorField_fourier(1:3,i,j,k)/ &
|
vectorField_fourier(1:3,i,j,k) = vectorField_fourier(1:3,i,j,k)/ &
|
||||||
sum(conjg(-xi1st(1:3,i,j,k))*xi1st(1:3,i,j,k))
|
sum(conjg(-xi1st(1:3,i,j,k))*xi1st(1:3,i,j,k))
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real)
|
call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real)
|
||||||
|
vectorField_real = vectorField_real * wgt
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! average F
|
!--------------------------------------------------------------------------------------------------
|
||||||
if (grid3Offset == 0_pInt) Favg = real(tensorField_fourier(1:3,1:3,1,1,1),pReal)*wgt
|
! average F
|
||||||
call MPI_Bcast(Favg,9,MPI_DOUBLE,0,PETSC_COMM_WORLD,ierr)
|
if (grid3Offset == 0_pInt) Favg = real(tensorField_fourier(1:3,1:3,1,1,1),pReal)*wgt
|
||||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='update_IPcoords')
|
call MPI_Bcast(Favg,9,MPI_DOUBLE,0,PETSC_COMM_WORLD,ierr)
|
||||||
|
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='update_IPcoords')
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
! add average to fluctuation and put (0,0,0) on (0,0,0)
|
!--------------------------------------------------------------------------------------------------
|
||||||
step = geomSize/real(grid, pReal)
|
! add average to fluctuation and put (0,0,0) on (0,0,0)
|
||||||
if (grid3Offset == 0_pInt) offset_coords = vectorField_real(1:3,1,1,1)
|
step = geomSize/real(grid, pReal)
|
||||||
call MPI_Bcast(offset_coords,3,MPI_DOUBLE,0,PETSC_COMM_WORLD,ierr)
|
if (grid3Offset == 0_pInt) offset_coords = vectorField_real(1:3,1,1,1)
|
||||||
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='update_IPcoords')
|
call MPI_Bcast(offset_coords,3,MPI_DOUBLE,0,PETSC_COMM_WORLD,ierr)
|
||||||
offset_coords = math_mul33x3(Favg,step/2.0_pReal) - offset_coords
|
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='update_IPcoords')
|
||||||
m = 1_pInt
|
offset_coords = math_mul33x3(Favg,step/2.0_pReal) - offset_coords
|
||||||
do k = 1_pInt,grid3; do j = 1_pInt,grid(2); do i = 1_pInt,grid(1)
|
m = 1_pInt
|
||||||
mesh_ipCoordinates(1:3,1,m) = vectorField_real(1:3,i,j,k) &
|
do k = 1_pInt,grid3; do j = 1_pInt,grid(2); do i = 1_pInt,grid(1)
|
||||||
+ offset_coords &
|
mesh_ipCoordinates(1:3,1,m) = vectorField_real(1:3,i,j,k) &
|
||||||
+ math_mul33x3(Favg,step*real([i,j,k+grid3Offset]-1_pInt,pReal))
|
+ offset_coords &
|
||||||
m = m+1_pInt
|
+ math_mul33x3(Favg,step*real([i,j,k+grid3Offset]-1_pInt,pReal))
|
||||||
enddo; enddo; enddo
|
m = m+1_pInt
|
||||||
|
enddo; enddo; enddo
|
||||||
|
|
||||||
end subroutine utilities_updateIPcoords
|
end subroutine utilities_updateIPcoords
|
||||||
|
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue