simplified the rate calculation interface in DAMASK_spectral_utilities.f90, corrected bug in rotation parsing and added debug option "rotation" to spectral solver options. This will show the current average stress and deformation additionally in lab coordinate system
This commit is contained in:
Martin Diehl
parent
85b0861893
commit
5ea0139678
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@ -196,18 +196,17 @@ program DAMASK_spectral_Driver
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loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
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case('euler') ! rotation of currentLoadCase given in euler angles
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temp_valueVector = 0.0_pReal
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l = 0_pInt ! assuming values given in degrees
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k = 0_pInt ! assuming keyword indicating degree/radians
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l = 1_pInt ! assuming values given in degrees
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k = 1_pInt ! assuming keyword indicating degree/radians present
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select case (IO_lc(IO_stringValue(line,positions,i+1_pInt)))
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case('rad','radian')
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l = 1_pInt
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k = 1_pInt
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case('deg','degree')
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l = 1_pInt ! for conversion from degree to radian
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case default
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case('rad','radian') ! don't convert from degree to radian
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l = 0_pInt
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case default
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k = 0_pInt
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end select
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forall(j = 1_pInt:3_pInt) temp_valueVector(j) = IO_floatValue(line,positions,i+k+j)
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if (k == 1_pInt) temp_valueVector(1:3) = temp_valueVector(1:3) * inRad ! convert to rad
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if (l == 1_pInt) temp_valueVector(1:3) = temp_valueVector(1:3) * inRad ! convert to rad
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loadCases(currentLoadCase)%rotation = math_EulerToR(temp_valueVector(1:3)) ! convert rad Eulers to rotation matrix
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case('rotation','rot') ! assign values for the rotation of currentLoadCase matrix
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temp_valueVector = 0.0_pReal
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@ -291,9 +291,9 @@ type(tSolutionState) function &
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mesh_ipCoordinates = 0.0_pReal !reshape(mesh_deformedCoordsFFT(geomdim,&
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!reshape(F,[3,3,res(1),res(2),res(3)])),[3,1,mesh_NcpElems])
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Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
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timeinc,timeinc_old,guess,F_lastInc,reshape(F,[3,3,res(1),res(2),res(3)]))
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timeinc_old,guess,F_lastInc,reshape(F,[3,3,res(1),res(2),res(3)]))
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F_lambdaDot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
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timeinc,timeinc_old,guess,F_lambda_lastInc,reshape(F_lambda,[3,3,res(1),res(2),res(3)]))
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timeinc_old,guess,F_lambda_lastInc,reshape(F_lambda,[3,3,res(1),res(2),res(3)]))
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F_lastInc = reshape(F,[3,3,res(1),res(2),res(3)])
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F_lambda_lastInc = reshape(F_lambda,[3,3,res(1),res(2),res(3)])
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@ -171,7 +171,8 @@ type(tSolutionState) function &
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Utilities_FFTbackward, &
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Utilities_updateGamma, &
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Utilities_constitutiveResponse, &
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Utilities_calculateRate
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Utilities_calculateRate, &
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debugRotation
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use FEsolving, only: &
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restartWrite, &
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restartRead, &
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@ -198,10 +199,9 @@ type(tSolutionState) function &
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real(pReal), dimension(3,3,3,3) :: &
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S !< current average compliance
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real(pReal), dimension(3,3) :: &
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F_aim_lab, &
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F_aim_lab_lastIter, & !< aim of last iteration
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P_av
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real(pReal), dimension(3,3) :: &
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F_aim_lastIter, & !< aim of last iteration
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P_av
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real(pReal), dimension(3,3,res(1),res(2),res(3)) :: P
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!--------------------------------------------------------------------------------------------------
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! loop variables, convergence etc.
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@ -258,12 +258,12 @@ type(tSolutionState) function &
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endif
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if (guess) f_aimDot = f_aimDot + P_BC%maskFloat * (F_aim - F_aim_lastInc)/timeinc_old
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F_aim_lastInc = F_aim
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Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
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timeinc,timeinc_old,guess,F_lastInc,F)
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Fdot = utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
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timeinc_old,guess,F_lastInc,F)
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F_lastInc = F
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endif
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F_aim = F_aim + f_aimDot * timeinc
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F = Utilities_forwardField(timeinc,F_aim,F_lastInc,Fdot) !I think F aim should be rotated here
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F = Utilities_forwardField(timeinc,math_rotate_backward33(F_aim,rotation_BC),F_lastInc,Fdot) !I think F aim should be rotated here
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!--------------------------------------------------------------------------------------------------
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! update stiffness (and gamma operator)
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@ -280,12 +280,14 @@ type(tSolutionState) function &
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! report begin of new iteration
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write(6,'(/,a,3(a,'//IO_intOut(itmax)//'))') trim(incInfo), &
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' @ Iter. ', itmin, '≤',iter, '≤', itmax
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if (debugRotation) &
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write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim (lab)=', &
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math_transpose33(math_rotate_backward33(F_aim,rotation_BC))
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write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =', &
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math_transpose33(F_aim)
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math_transpose33(F_aim)
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!--------------------------------------------------------------------------------------------------
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! evaluate constitutive response
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F_aim_lab_lastIter = math_rotate_backward33(F_aim,rotation_BC)
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F_aim_lastIter = F_aim
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basic_solution%termIll = .false.
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call Utilities_constitutiveResponse(F_lastInc,F,temperature,timeinc,&
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P,C,P_av,ForwardData,rotation_BC)
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@ -297,8 +299,7 @@ type(tSolutionState) function &
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! stress BC handling
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F_aim = F_aim - math_mul3333xx33(S, ((P_av - P_BC%values))) ! S = 0.0 for no bc
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err_stress = maxval(abs(P_BC%maskFloat * (P_av - P_BC%values))) ! mask = 0.0 for no bc
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F_aim_lab = math_rotate_backward33(F_aim,rotation_BC) ! boundary conditions from load frame into lab (Fourier) frame
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!--------------------------------------------------------------------------------------------------
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! updated deformation gradient using fix point algorithm of basic scheme
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field_real = 0.0_pReal
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@ -306,7 +307,7 @@ type(tSolutionState) function &
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order=[4,5,1,2,3]) ! field real has a different order
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call Utilities_FFTforward()
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err_div = Utilities_divergenceRMS()
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call Utilities_fourierConvolution(F_aim_lab_lastIter - F_aim_lab)
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call Utilities_fourierConvolution(math_rotate_backward33(F_aim_lastIter-F_aim,rotation_BC))
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call Utilities_FFTbackward()
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F = F - reshape(field_real(1:res(1),1:res(2),1:res(3),1:3,1:3),shape(F),order=[3,4,5,1,2]) ! F(x)^(n+1) = F(x)^(n) + correction; *wgt: correcting for missing normalization
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basic_solution%converged = basic_Converged(err_div,P_av,err_stress,P_av)
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@ -270,7 +270,7 @@ type(tSolutionState) function &
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!--------------------------------------------------------------------------------------------------
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! update coordinates and rate and forward last inc
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Fdot = Utilities_calculateRate(math_rotate_backward33(f_aimDot,rotation_BC), &
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timeinc,timeinc_old,guess,F_lastInc,reshape(F,[3,3,res(1),res(2),res(3)]))
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timeinc_old,guess,F_lastInc,reshape(F,[3,3,res(1),res(2),res(3)]))
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F_lastInc = reshape(F,[3,3,res(1),res(2),res(3)])
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endif
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F_aim = F_aim + f_aimDot * timeinc
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@ -46,7 +46,8 @@ module DAMASK_spectral_utilities
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debugGeneral, & !< general debugging of spectral solver
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debugDivergence, & !< debugging of divergence calculation (comparison to function used for post processing)
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debugRestart, & !< debbuging of restart features
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debugFFTW !< doing additional FFT on scalar field and compare to results of strided 3D FFT
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debugFFTW, & !< doing additional FFT on scalar field and compare to results of strided 3D FFT
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debugRotation !< also printing out results in lab frame
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!--------------------------------------------------------------------------------------------------
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! derived types
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@ -105,7 +106,8 @@ subroutine utilities_init()
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debug_levelBasic, &
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debug_spectralDivergence, &
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debug_spectralRestart, &
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debug_spectralFFTW
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debug_spectralFFTW, &
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debug_spectralRotation
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use mesh, only: &
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res, &
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res1_red, &
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@ -132,6 +134,7 @@ subroutine utilities_init()
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debugDivergence = iand(debug_level(debug_spectral),debug_spectralDivergence) /= 0
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debugRestart = iand(debug_level(debug_spectral),debug_spectralRestart) /= 0
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debugFFTW = iand(debug_level(debug_spectral),debug_spectralFFTW) /= 0
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debugRotation = iand(debug_level(debug_spectral),debug_spectralRotation) /= 0
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!--------------------------------------------------------------------------------------------------
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! allocation
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@ -721,10 +724,14 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,temperature,timeinc,&
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C = C * wgt
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call debug_info()
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P_av = math_rotate_forward33(sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt,rotation_BC) ! average of P rotated
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restartWrite = .false. ! reset restartWrite status
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cutBack = .false. ! reset cutBack status
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P_av = sum(sum(sum(P,dim=5),dim=4),dim=3) * wgt ! average of P
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if (debugRotation) &
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write(6,'(a,/,3(3(2x,f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress (lab) / MPa =',&
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math_transpose33(P_av)/1.e6_pReal
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P_av = math_rotate_forward33(P_av,rotation_BC)
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write(6,'(a,/,3(3(2x,f12.7,1x)/))',advance='no') 'Piola-Kirchhoff stress / MPa =',&
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math_transpose33(P_av)/1.e6_pReal
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end subroutine utilities_constitutiveResponse
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@ -733,14 +740,13 @@ end subroutine utilities_constitutiveResponse
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!--------------------------------------------------------------------------------------------------
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!> @brief calculates forward rate, either guessing or just add delta/timeinc
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!--------------------------------------------------------------------------------------------------
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pure function utilities_calculateRate(delta_aim,timeinc,timeinc_old,guess,field_lastInc,field)
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pure function utilities_calculateRate(avRate,timeinc_old,guess,field_lastInc,field)
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use mesh, only: &
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res
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implicit none
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real(pReal), intent(in), dimension(3,3) :: delta_aim !< homogeneous addon
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real(pReal), intent(in), dimension(3,3) :: avRate !< homogeneous addon
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real(pReal), intent(in) :: &
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timeinc, & !< timeinc of current step
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timeinc_old !< timeinc of last step
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logical, intent(in) :: &
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guess !< guess along former trajectory
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@ -752,7 +758,7 @@ pure function utilities_calculateRate(delta_aim,timeinc,timeinc_old,guess,field_
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if(guess) then
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utilities_calculateRate = (field-field_lastInc) / timeinc_old
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else
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utilities_calculateRate = spread(spread(spread(delta_aim,3,res(1)),4,res(2)),5,res(3))/timeinc
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utilities_calculateRate = spread(spread(spread(avRate,3,res(1)),4,res(2)),5,res(3))
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endif
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end function utilities_calculateRate
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@ -43,7 +43,8 @@ module debug
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integer(pInt), parameter, public :: &
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debug_spectralRestart = debug_maxGeneral*2_pInt**1_pInt, &
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debug_spectralFFTW = debug_maxGeneral*2_pInt**2_pInt, &
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debug_spectralDivergence = debug_maxGeneral*2_pInt**3_pInt
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debug_spectralDivergence = debug_maxGeneral*2_pInt**3_pInt, &
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debug_spectralRotation = debug_maxGeneral*2_pInt**4_pInt
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integer(pInt), parameter, public :: &
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debug_debug = 1_pInt, &
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@ -232,6 +233,8 @@ subroutine debug_init
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debug_level(what) = ior(debug_level(what), debug_spectralFFTW)
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case('divergence')
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debug_level(what) = ior(debug_level(what), debug_spectralDivergence)
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case('rotation')
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debug_level(what) = ior(debug_level(what), debug_spectralRotation)
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end select
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enddo
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endif
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@ -306,6 +309,7 @@ subroutine debug_init
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if(iand(debug_level(i),debug_spectralRestart) /= 0) write(6,'(a)') ' restart'
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if(iand(debug_level(i),debug_spectralFFTW) /= 0) write(6,'(a)') ' FFTW'
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if(iand(debug_level(i),debug_spectralDivergence)/= 0) write(6,'(a)') ' divergence'
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if(iand(debug_level(i),debug_spectralRotation) /= 0) write(6,'(a)') ' rotation'
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!$OMP END CRITICAL (write2out)
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endif
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enddo
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