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DAMASK_EICMD
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(likely) fixed a bug in the FFT-based geometry reconstruction. For (hopefully) correct math see Appendix B in paper.

This commit is contained in:
Philip Eisenlohr 2012-05-22 18:35:15 +00:00
parent bbf790a0a5
commit c607441717
1 changed files with 12 additions and 7 deletions
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code/math.f90
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@ -3313,7 +3313,7 @@ subroutine deformed_fft(res,geomdim,defgrad_av,scaling,defgrad,coords)
real(pReal), dimension(:,:,:,:), pointer :: coords_real
complex(pReal), dimension(:,:,:,:), pointer :: coords_fourier
! other variables
integer(pInt) :: i, j, k, res1_red
integer(pInt) :: i, j, k, m, res1_red
integer(pInt), dimension(3) :: k_s
real(pReal), dimension(3) :: step, offset_coords, integrator
@ -3375,12 +3375,17 @@ subroutine deformed_fft(res,geomdim,defgrad_av,scaling,defgrad,coords)
if(j > res(2)/2_pInt+1_pInt) k_s(2) = k_s(2)-res(2)
do i = 1_pInt, res1_red
k_s(1) = i-1_pInt
if(i/=1_pInt) coords_fourier(i,j,k,1:3) = coords_fourier(i,j,k,1:3)& ! substituting division by (on the fly calculated) xi * 2pi * img by multiplication with reversed img/real part
- defgrad_fourier(i,j,k,1:3,1)*cmplx(0.0_pReal,integrator(1)/real(k_s(1),pReal),pReal)
if(j/=1_pInt) coords_fourier(i,j,k,1:3) = coords_fourier(i,j,k,1:3)&
- defgrad_fourier(i,j,k,1:3,2)*cmplx(0.0_pReal,integrator(2)/real(k_s(2),pReal),pReal)
if(k/=1_pInt) coords_fourier(i,j,k,1:3) = coords_fourier(i,j,k,1:3)&
- defgrad_fourier(i,j,k,1:3,3)*cmplx(0.0_pReal,integrator(3)/real(k_s(3),pReal),pReal)
do m = 1_pInt,3_pInt
coords_fourier(i,j,k,m) = sum(defgrad_fourier(i,j,k,m,1:3)*cmplx(0.0_pReal,real(k_s,pReal)*integrator,pReal))
enddo
if (k_s(3) /= 0_pInt .or. k_s(2) /= 0_pInt .or. k_s(1) /= 0_pInt) &
coords_fourier(i,j,k,1:3) = coords_fourier(i,j,k,1:3) / real(-sum(k_s*k_s),pReal)
! if(i/=1_pInt) coords_fourier(i,j,k,1:3) = coords_fourier(i,j,k,1:3)& ! substituting division by (on the fly calculated) xi * 2pi * img by multiplication with reversed img/real part
! - defgrad_fourier(i,j,k,1:3,1)*cmplx(0.0_pReal,integrator(1)/real(k_s(1),pReal),pReal)
! if(j/=1_pInt) coords_fourier(i,j,k,1:3) = coords_fourier(i,j,k,1:3)&
! - defgrad_fourier(i,j,k,1:3,2)*cmplx(0.0_pReal,integrator(2)/real(k_s(2),pReal),pReal)
! if(k/=1_pInt) coords_fourier(i,j,k,1:3) = coords_fourier(i,j,k,1:3)&
! - defgrad_fourier(i,j,k,1:3,3)*cmplx(0.0_pReal,integrator(3)/real(k_s(3),pReal),pReal)
enddo; enddo; enddo
call fftw_execute_dft_c2r(fftw_back,coords_fourier,coords_real)