made linear shape reconstruction working again, pretty similar results like corrected FFT reconstruction
This commit is contained in:
Martin Diehl
parent
b2a7f85101
commit
13caf2d389
108
code/math.f90
108
code/math.f90
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@ -16,16 +16,19 @@
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! You should have received a copy of the GNU General Public License
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!##############################################################
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!--------------------------------------------------------------------------------------------------
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!* $Id$
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!##############################################################
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!--------------------------------------------------------------------------------------------------
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Mathematical library, including random number generation and tensor represenations
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!--------------------------------------------------------------------------------------------------
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#ifdef Spectral
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#include "kdtree2.f90"
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#endif
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module math
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!##############################################################
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use, intrinsic :: iso_c_binding
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use prec, only: pReal,pInt
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@ -35,15 +38,13 @@ module math
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real(pReal), parameter, public :: INRAD = pi/180.0_pReal
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complex(pReal), parameter, public :: TWOPIIMG = (0.0_pReal,2.0_pReal)* pi
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! *** 3x3 Identity ***
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real(pReal), dimension(3,3), parameter, public :: &
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math_I3 = reshape([&
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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 &
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],[3,3])
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],[3,3]) !< 3x3 Identity
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! *** Mandel notation ***
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integer(pInt), dimension (2,6), parameter, private :: &
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mapMandel = reshape([&
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1_pInt,1_pInt, &
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@ -52,7 +53,7 @@ module math
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1_pInt,2_pInt, &
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2_pInt,3_pInt, &
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1_pInt,3_pInt &
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],[2,6])
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],[2,6]) !< Mandel notation
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real(pReal), dimension(6), parameter, private :: &
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nrmMandel = [&
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@ -64,7 +65,6 @@ module math
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1.0_pReal, 1.0_pReal, 1.0_pReal,&
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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, private :: &
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mapVoigt = reshape([&
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1_pInt,1_pInt, &
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@ -73,7 +73,7 @@ module math
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2_pInt,3_pInt, &
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1_pInt,3_pInt, &
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1_pInt,2_pInt &
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],[2,6])
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],[2,6]) !< Voigt notation
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real(pReal), dimension(6), parameter, private :: &
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nrmVoigt = 1.0_pReal, &
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@ -154,9 +154,9 @@ real(pReal), dimension(4,36), parameter, private :: &
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contains
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!**************************************************************************
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! initialization of module
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!**************************************************************************
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!--------------------------------------------------------------------------------------------------
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!> @brief initialization of random seed generator
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!--------------------------------------------------------------------------------------------------
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subroutine math_init
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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@ -3172,15 +3172,11 @@ end subroutine mesh_regular_grid
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!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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subroutine deformed_linear(res,geomdim,defgrad_av,defgrad,coord_avgCorner)
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subroutine deformed_linear(res,geomdim,defgrad_av,defgrad,coord)
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!+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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! Routine to calculate coordinates in current configuration for given defgrad
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! using linear interpolation (blurres out high frequency defomation)
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!
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use debug, only: debug_math, &
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debug_level, &
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debug_levelBasic
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implicit none
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! input variables
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integer(pInt), intent(in), dimension(3) :: res
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@ -3188,15 +3184,14 @@ subroutine deformed_linear(res,geomdim,defgrad_av,defgrad,coord_avgCorner)
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real(pReal), intent(in), dimension(3,3) :: defgrad_av
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real(pReal), intent(in), dimension( res(1),res(2),res(3),3,3) :: defgrad
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! output variables
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real(pReal), intent(out), dimension( res(1),res(2),res(3),3) :: coord_avgCorner
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real(pReal), intent(out), dimension( res(1),res(2),res(3),3) :: coord
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! variables with dimension depending on input
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real(pReal), dimension(8,6,res(1),res(2),res(3),3) :: coord
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real(pReal), dimension( 8,res(1),res(2),res(3),3) :: coord_avgOrder
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! other variables
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real(pReal), dimension(3) :: myStep, fones = 1.0_pReal, parameter_coords, negative, positive
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real(pReal), dimension(3) :: myStep, fones = 1.0_pReal, parameter_coords, negative, positive, offset_coords
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integer(pInt), dimension(3) :: rear, init, ones = 1_pInt, oppo, me
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integer(pInt) i, j, k, s, o
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integer(pInt), dimension(3,8) :: corner = reshape((/ &
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integer(pInt), dimension(3,8) :: corner = reshape([ &
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0_pInt, 0_pInt, 0_pInt,&
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1_pInt, 0_pInt, 0_pInt,&
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1_pInt, 1_pInt, 0_pInt,&
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@ -3205,9 +3200,8 @@ subroutine deformed_linear(res,geomdim,defgrad_av,defgrad,coord_avgCorner)
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0_pInt, 1_pInt, 1_pInt,&
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0_pInt, 0_pInt, 1_pInt,&
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1_pInt, 0_pInt, 1_pInt &
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/), &
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(/3,8/))
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integer(pInt), dimension(3,8) :: step = reshape((/ &
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],[3,8])
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integer(pInt), dimension(3,8) :: step = reshape([&
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1_pInt, 1_pInt, 1_pInt,&
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-1_pInt, 1_pInt, 1_pInt,&
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-1_pInt,-1_pInt, 1_pInt,&
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@ -3216,64 +3210,57 @@ subroutine deformed_linear(res,geomdim,defgrad_av,defgrad,coord_avgCorner)
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1_pInt,-1_pInt,-1_pInt,&
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1_pInt, 1_pInt,-1_pInt,&
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-1_pInt, 1_pInt,-1_pInt &
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/), &
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(/3,8/))
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integer(pInt), dimension(3,6) :: order = reshape((/ &
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], [3,8])
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integer(pInt), dimension(3,6) :: order = reshape([ &
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1_pInt, 2_pInt, 3_pInt,&
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1_pInt, 3_pInt, 2_pInt,&
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2_pInt, 1_pInt, 3_pInt,&
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2_pInt, 3_pInt, 1_pInt,&
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3_pInt, 1_pInt, 2_pInt,&
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3_pInt, 2_pInt, 1_pInt &
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/), &
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(/3,6/))
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if (iand(debug_level(debug_math),debug_levelBasic) /= 0_pInt) then
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print*, 'Restore geometry using linear integration'
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print '(a,3(e12.5))', ' Dimension: ', geomdim
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print '(a,3(i5))', ' Resolution:', res
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endif
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], [3,6])
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coord_avgOrder = 0.0_pReal
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do s = 0_pInt, 7_pInt ! corners (from 0 to 7)
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init = corner(:,s+1_pInt)*(res-ones) +ones
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oppo = corner(:,mod((s+4_pInt),8_pInt)+1_pInt)*(res-ones) +ones
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do o=1_pInt,6_pInt ! orders (from 1 to 6)
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coord = 0_pReal
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do k = init(order(3,o)), oppo(order(3,o)), step(order(3,o),s+1_pInt)
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rear(order(2,o)) = init(order(2,o))
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do j = init(order(2,o)), oppo(order(2,o)), step(order(2,o),s+1_pInt)
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rear(order(1,o)) = init(order(1,o))
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do i = init(order(1,o)), oppo(order(1,o)), step(order(1,o),s+1_pInt)
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me(order(1,o)) = i
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me(order(2,o)) = j
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me(order(3,o)) = k
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if ( (me(1)==init(1)).and.(me(2)==init(2)).and. (me(3)==init(3)) ) then
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coord(s+1_pInt,o,me(1),me(2),me(3),1:3) = geomdim * (matmul(defgrad_av,real(corner(1:3,s+1),pReal)) + &
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me(order(1:3,o)) = [i,j,k]
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if ( all(me==init)) then
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coord(me(1),me(2),me(3),1:3) = geomdim * (matmul(defgrad_av,real(corner(1:3,s+1),pReal)) + &
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matmul(defgrad(me(1),me(2),me(3),1:3,1:3),0.5_pReal*real(step(1:3,s+1_pInt)/res,pReal)))
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else
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myStep = (me-rear)*geomdim/res
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coord(s+1_pInt,o,me(1),me(2),me(3),1:3) = coord(s+1_pInt,o,rear(1),rear(2),rear(3),1:3) + &
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coord(me(1),me(2),me(3),1:3) = coord(rear(1),rear(2),rear(3),1:3) + &
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0.5_pReal*matmul(defgrad(me(1),me(2),me(3),1:3,1:3) + &
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defgrad(rear(1),rear(2),rear(3),1:3,1:3),myStep)
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endif
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rear = me
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enddo; enddo; enddo; enddo
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do i = 1_pInt,6_pInt
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coord_avgOrder(s+1_pInt,1:res(1),1:res(2),1:res(3),1:3) = coord_avgOrder(s+1_pInt, 1:res(1),1:res(2),1:res(3),1:3)&
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+ coord(s+1_pInt,i,1:res(1),1:res(2),1:res(3),1:3)/6.0_pReal
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enddo; enddo; enddo
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coord_avgOrder(s+1_pInt,1:res(1),1:res(2),1:res(3),1:3) = &
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coord_avgOrder(s+1_pInt,1:res(1),1:res(2),1:res(3),1:3) + coord/6.0_pReal
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enddo
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offset_coords = coord_avgOrder(s+1,1,1,1,1:3)
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do k = 1_pInt, res(3); do j = 1_pInt, res(2); do i = 1_pInt, res(1)
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coord_avgOrder(s+1,i,j,k,1:3) = coord_avgOrder(s+1,i,j,k,1:3) - offset_coords
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enddo; enddo; enddo
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enddo
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do k = 0_pInt, res(3)-1_pInt
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do j = 0_pInt, res(2)-1_pInt
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do i = 0_pInt, res(1)-1_pInt
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parameter_coords = (2.0_pReal*(/real(i,pReal)+0.0_pReal,real(j,pReal)+0.0_pReal,real(k,pReal)+0.0_pReal/)&
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-real(res,pReal)+fones)/(real(res,pReal)-fones)
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parameter_coords = (2.0_pReal*real([i,j,k]+1,pReal)-real(res,pReal))/(real(res,pReal))
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positive = fones + parameter_coords
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negative = fones - parameter_coords
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coord_avgCorner(i+1_pInt,j+1_pInt,k+1_pInt,1:3)&
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coord(i+1_pInt,j+1_pInt,k+1_pInt,1:3)&
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=(coord_avgOrder(1,i+1_pInt,j+1_pInt,k+1_pInt,1:3) *negative(1)*negative(2)*negative(3)&
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+ coord_avgOrder(2,i+1_pInt,j+1_pInt,k+1_pInt,1:3) *positive(1)*negative(2)*negative(3)&
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+ coord_avgOrder(3,i+1_pInt,j+1_pInt,k+1_pInt,1:3) *positive(1)*positive(2)*negative(3)&
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@ -3284,6 +3271,13 @@ subroutine deformed_linear(res,geomdim,defgrad_av,defgrad,coord_avgCorner)
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+ coord_avgOrder(8,i+1_pInt,j+1_pInt,k+1_pInt,1:3) *positive(1)*negative(2)*positive(3))*0.125_pReal
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enddo; enddo; enddo
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offset_coords = matmul(defgrad(1,1,1,1:3,1:3),geomdim/real(res, pReal)/2.0_pReal) - coord(1,1,1,1:3)
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do k = 1_pInt, res(3)
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do j = 1_pInt, res(2)
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do i = 1_pInt, res(1)
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coord(i,j,k,1:3) = coord(i,j,k,1:3)+ offset_coords
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enddo; enddo; enddo
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end subroutine deformed_linear
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#ifdef Spectral
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@ -3407,15 +3401,11 @@ subroutine deformed_fft(res,geomdim,defgrad_av,scaling,defgrad,coords)
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enddo; enddo; enddo
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call fftw_destroy_plan(fftw_forth); call fftw_destroy_plan(fftw_back)
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call c_f_pointer(C_NULL_PTR, defgrad_real, [res(1)+2_pInt,res(2),res(3),3_pInt,3_pInt]) ! let all pointers point on NULL-Type
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call c_f_pointer(C_NULL_PTR, defgrad_fourier, [res1_red ,res(2),res(3),3_pInt,3_pInt])
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call c_f_pointer(C_NULL_PTR, coords_real, [res(1)+2_pInt,res(2),res(3),3_pInt])
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call c_f_pointer(C_NULL_PTR, coords_fourier,[res1_red ,res(2),res(3),3_pInt])
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if(.not. (c_associated(C_LOC(defgrad_real(1,1,1,1,1))) .and. c_associated(C_LOC(defgrad_fourier(1,1,1,1,1)))))& ! Check if pointers are deassociated and free memory
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call fftw_free(defgrad_fftw) ! This procedure ensures that optimization do not mix-up lines, because a
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if(.not.(c_associated(C_LOC(coords_real(1,1,1,1))) .and. c_associated(C_LOC(coords_fourier(1,1,1,1)))))& ! simple fftw_free(field_fftw) could be done immediately after the last line where field_fftw appears, e.g:
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call fftw_free(coords_fftw) ! call c_f_pointer(field_fftw, field_fourier, [res1_red ,res(2),res(3),vec_tens,3])
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call fftw_destroy_plan(fftw_forth)
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call fftw_destroy_plan(fftw_back)
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call fftw_free(defgrad_fftw)
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call fftw_free(coords_fftw)
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end subroutine deformed_fft
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@ -344,6 +344,9 @@ parser.add_option('--scaling', dest='scaling', type='float', \
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help='scaling of fluctuation [%default]')
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parser.add_option('-u', '--unitlength', dest='unitlength', type='float', \
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help='set unit length for 2D model [%default]')
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parser.add_option('-l', '--linear', dest='linearreconstruction', action='store_true',\
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help='use linear reconstruction of geometry [%default]')
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parser.set_defaults(defgrad = 'f')
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parser.set_defaults(separator = 't')
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parser.set_defaults(scalar = [])
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@ -359,6 +362,7 @@ parser.set_defaults(scaling = 1.0)
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parser.set_defaults(undeformed = False)
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parser.set_defaults(unitlength = 0.0)
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parser.set_defaults(cell = True)
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parser.set_defaults(linearreconstruction = False)
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sep = {'n': '\n', 't': '\t', 's': ' '}
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@ -456,8 +460,12 @@ for filename in args:
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defgrad_av = damask.core.math.tensor_avg(res,numpy.reshape(values[:,column['tensor'][options.defgrad]:
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column['tensor'][options.defgrad]+9],
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(res[0],res[1],res[2],3,3)))
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#centroids = damask.core.math.deformed_linear(res,dim,defgrad_av,
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if options.linearreconstruction:
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centroids = damask.core.math.deformed_linear(res,dim,defgrad_av,
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numpy.reshape(values[:,column['tensor'][options.defgrad]:
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column['tensor'][options.defgrad]+9],
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(res[0],res[1],res[2],3,3)))
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else:
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centroids = damask.core.math.deformed_fft(res,dim,defgrad_av,options.scaling,
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numpy.reshape(values[:,column['tensor'][options.defgrad]:
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column['tensor'][options.defgrad]+9],
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