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DAMASK_EICMD
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Merge branch '5-flexible-dot-delta-state-relation' into 3-adding-plastic-constitutive-law-with-kinematic-hardening

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Zhuowen Zhao 2017-09-29 18:46:35 -04:00
parent 81bcc72993 f5816a643d
commit 7d6d822ee0
6 changed files with 59 additions and 50 deletions
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2
VERSION
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@ -1 +1 @@
v2.0.1-918-gae868d3 v2.0.1-924-ge1bfde9

2
src/IO.f90
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@ -1581,7 +1581,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (601_pInt) case (601_pInt)
msg = 'Ping-Pong needed when using non-local plasticity' msg = 'Ping-Pong needed when using non-local plasticity'
case (602_pInt) case (602_pInt)
msg = 'invalid element/IP/component (grain) selected for debug' msg = 'invalid selection for debug'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! DAMASK_marc errors ! DAMASK_marc errors

30
src/crystallite.f90
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@ -3111,27 +3111,41 @@ logical function crystallite_stateJump(ipc,ip,el)
c, & c, &
p, & p, &
mySource, & mySource, &
myOffsetPlasticDeltaState, &
myOffsetSourceDeltaState, &
mySizePlasticDeltaState, & mySizePlasticDeltaState, &
mySizeSourceDeltaState mySizeSourceDeltaState
c= phasememberAt(ipc,ip,el) c = phasememberAt(ipc,ip,el)
p = phaseAt(ipc,ip,el) p = phaseAt(ipc,ip,el)
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,ipc,ip,el), crystallite_Fe(1:3,1:3,ipc,ip,el), ipc,ip,el) call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,ipc,ip,el), crystallite_Fe(1:3,1:3,ipc,ip,el), ipc,ip,el)
myOffsetPlasticDeltaState = plasticState(p)%offsetDeltaState
mySizePlasticDeltaState = plasticState(p)%sizeDeltaState mySizePlasticDeltaState = plasticState(p)%sizeDeltaState
if( any(IEEE_is_NaN(plasticState(p)%deltaState(:,c)))) then ! NaN occured in deltaState
if( any(IEEE_is_NaN(plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)))) then ! NaN occured in deltaState
crystallite_stateJump = .false. crystallite_stateJump = .false.
return return
endif endif
plasticState(p)%state(1:mySizePlasticDeltaState,c) = plasticState(p)%state(1:mySizePlasticDeltaState,c) + &
plasticState(p)%state(myOffsetPlasticDeltaState + 1_pInt : &
myOffsetPlasticDeltaState + mySizePlasticDeltaState,c) = &
plasticState(p)%state(myOffsetPlasticDeltaState + 1_pInt : &
myOffsetPlasticDeltaState + mySizePlasticDeltaState,c) + &
plasticState(p)%deltaState(1:mySizePlasticDeltaState,c) plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
do mySource = 1_pInt, phase_Nsources(p) do mySource = 1_pInt, phase_Nsources(p)
myOffsetSourceDeltaState = sourceState(p)%p(mySource)%offsetDeltaState
mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState
if( any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(:,c)))) then ! NaN occured in deltaState if (any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c)))) then ! NaN occured in deltaState
crystallite_stateJump = .false. crystallite_stateJump = .false.
return return
endif endif
sourceState(p)%p(mySource)%state(1:mySizeSourceDeltaState,c) = & sourceState(p)%p(mySource)%state(myOffsetSourceDeltaState + 1_pInt : &
sourceState(p)%p(mySource)%state(1:mySizeSourceDeltaState,c) + & myOffsetSourceDeltaState + mySizeSourceDeltaState,c) = &
sourceState(p)%p(mySource)%state(myOffsetSourceDeltaState + 1_pInt : &
myOffsetSourceDeltaState + mySizeSourceDeltaState,c) + &
sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c) sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c)
enddo enddo
@ -3142,7 +3156,9 @@ logical function crystallite_stateJump(ipc,ip,el)
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
write(6,'(a,i8,1x,i2,1x,i3, /)') '<< CRYST >> update state at el ip ipc ',el,ip,ipc write(6,'(a,i8,1x,i2,1x,i3, /)') '<< CRYST >> update state at el ip ipc ',el,ip,ipc
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> deltaState', plasticState(p)%deltaState(1:mySizePlasticDeltaState,c) write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> deltaState', plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', plasticState(p)%state (1:mySizePlasticDeltaState,c) write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', &
plasticState(p)%state(myOffsetSourceDeltaState + 1_pInt : &
myOffsetSourceDeltaState + mySizeSourceDeltaState,c)
endif endif
#endif #endif

2
src/homogenization.f90
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@ -471,7 +471,7 @@ subroutine homogenization_init
flush(6) flush(6)
if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) & if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) &
call IO_error(602_pInt,ext_msg='component (grain)') call IO_error(602_pInt,ext_msg='component (grain)', el=debug_e, g=debug_g)
end subroutine homogenization_init end subroutine homogenization_init

42
src/math.f90
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@ -3,7 +3,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH !> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Mathematical library, including random number generation and tensor represenations !> @brief Mathematical library, including random number generation and tensor representations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module math module math
use prec, only: & use prec, only: &
@ -174,10 +174,8 @@ contains
subroutine math_init subroutine math_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use prec, only: tol_math_check use numerics, only: fixedSeed
use numerics, only: & use IO, only: IO_timeStamp
fixedSeed
use IO, only: IO_error, IO_timeStamp
implicit none implicit none
integer(pInt) :: i integer(pInt) :: i
@ -227,12 +225,10 @@ end subroutine math_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine math_check subroutine math_check
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use prec, only: tol_math_check use prec, only: tol_math_check
use numerics, only: & use IO, only: IO_error
fixedSeed
use IO, only: IO_error, IO_timeStamp
implicit none
character(len=64) :: error_msg character(len=64) :: error_msg
real(pReal), dimension(3,3) :: R,R2 real(pReal), dimension(3,3) :: R,R2
@ -269,7 +265,7 @@ subroutine math_check
if ( any(abs( q-q2) > tol_math_check) .and. & if ( any(abs( q-q2) > tol_math_check) .and. &
any(abs(-q-q2) > tol_math_check) ) then any(abs(-q-q2) > tol_math_check) ) then
write (error_msg, '(a,e14.6)' ) & write (error_msg, '(a,e14.6)' ) &
'quat -> euler -> quatmaximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2))) 'quat -> euler -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
call IO_error(401_pInt,ext_msg=error_msg) call IO_error(401_pInt,ext_msg=error_msg)
endif endif
@ -374,7 +370,7 @@ end subroutine math_qsort
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief vector expansion !> @brief vector expansion
!> @details takes a set of numbers (a,b,c,...) and corresponding multipliers (x,y,z,...) !> @details takes a set of numbers (a,b,c,...) and corresponding multiples (x,y,z,...)
!> to return a vector of x times a, y times b, z times c, ... !> to return a vector of x times a, y times b, z times c, ...
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function math_expand(what,how) pure function math_expand(what,how)
@ -383,12 +379,10 @@ pure function math_expand(what,how)
real(pReal), dimension(:), intent(in) :: what real(pReal), dimension(:), intent(in) :: what
integer(pInt), dimension(:), intent(in) :: how integer(pInt), dimension(:), intent(in) :: how
real(pReal), dimension(sum(how)) :: math_expand real(pReal), dimension(sum(how)) :: math_expand
integer(pInt) :: i,o integer(pInt) :: i
o = 1_pInt do i = 1_pInt, size(how)
do i = 1, size(how) math_expand(sum(how(1:i-1))+1:sum(how(1:i))) = what(mod(i-1_pInt,size(what))+1_pInt)
math_expand(o:o+how(i)-1_pInt) = what(1+mod(i-1,size(what)))
o = o + how(i)
enddo enddo
end function math_expand end function math_expand
@ -708,22 +702,20 @@ end function math_mul66x6
pure function math_exp33(A,n) pure function math_exp33(A,n)
implicit none implicit none
integer(pInt) :: i,order integer(pInt) :: i
integer(pInt), intent(in), optional :: n integer(pInt), intent(in), optional :: n
real(pReal), dimension(3,3), intent(in) :: A real(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3,3) :: B,math_exp33 real(pReal), dimension(3,3) :: B, math_exp33
real(pReal) :: invfac real(pReal) :: invFac
order = merge(n,5_pInt,present(n))
B = math_I3 ! init B = math_I3 ! init
invfac = 1.0_pReal ! 0! invFac = 1.0_pReal ! 0!
math_exp33 = B ! A^0 = eye2 math_exp33 = B ! A^0 = eye2
do i = 1_pInt,n do i = 1_pInt, merge(n,5_pInt,present(n))
invfac = invfac/real(i,pReal) ! invfac = 1/i! invFac = invFac/real(i,pReal) ! invfac = 1/i!
B = math_mul33x33(B,A) B = math_mul33x33(B,A)
math_exp33 = math_exp33 + invfac*B ! exp = SUM (A^i)/i! math_exp33 = math_exp33 + invFac*B ! exp = SUM (A^i)/i!
enddo enddo
end function math_exp33 end function math_exp33

11
src/prec.f90
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@ -39,15 +39,16 @@ module prec
!http://stackoverflow.com/questions/3948210/can-i-have-a-pointer-to-an-item-in-an-allocatable-array !http://stackoverflow.com/questions/3948210/can-i-have-a-pointer-to-an-item-in-an-allocatable-array
type, public :: tState type, public :: tState
integer(pInt) :: & integer(pInt) :: &
sizeState = 0_pInt , & !< size of state sizeState = 0_pInt, & !< size of state
sizeDotState = 0_pInt, & !< size of dot state, i.e. parts of the state that are integrated sizeDotState = 0_pInt, & !< size of dot state, i.e. state(1:sizeDot) follows time evolution by dotState rates
sizeDeltaState = 0_pInt, & !< size of delta state, i.e. parts of the state that have discontinuous rates offsetDeltaState = 0_pInt, & !< offset of delta state
sizeDeltaState = 0_pInt, & !< size of delta state, i.e. state(offset+1:offset+sizeDot) follows time evolution by deltaState increments
sizePostResults = 0_pInt !< size of output data sizePostResults = 0_pInt !< size of output data
real(pReal), pointer, dimension(:), contiguous :: & real(pReal), pointer, dimension(:), contiguous :: &
atolState atolState
real(pReal), pointer, dimension(:,:), contiguous :: & ! a pointer is needed here because we might point to state/dot/deltaState. However, they will never point to something, but are rather allocated and, hence, contiguous real(pReal), pointer, dimension(:,:), contiguous :: & ! a pointer is needed here because we might point to state/doState. However, they will never point to something, but are rather allocated and, hence, contiguous
state0, &
state, & !< state state, & !< state
state0, & !< state at beginning of increment
dotState, & !< rate of state change dotState, & !< rate of state change
deltaState !< increment of state change deltaState !< increment of state change
real(pReal), allocatable, dimension(:,:) :: & real(pReal), allocatable, dimension(:,:) :: &