421 lines
26 KiB
Fortran
421 lines
26 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Luc Hantcherli, Max-Planck-Institut für Eisenforschung GmbH
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!> @author W.A. Counts
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!> @author Denny Tjahjanto, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Interfaces DAMASK with MSC.Marc
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!> @details Usage:
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!> @details - choose material as hypela2
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!> @details - set statevariable 2 to index of homogenization
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!> @details - set statevariable 3 to index of microstructure
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!> @details - use nonsymmetric option for solver (e.g. direct profile or multifrontal sparse, the latter seems to be faster!)
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!> @details - in case of ddm (domain decomposition) a SYMMETRIC solver has to be used, i.e uncheck "non-symmetric"
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!> @details Marc subroutines used:
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!> @details - hypela2
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!> @details - uedinc
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!> @details - flux
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!> @details - quit
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!> @details Marc common blocks included:
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!> @details - concom: lovl, inc
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!> @details - creeps: timinc
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!--------------------------------------------------------------------------------------------------
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#define QUOTE(x) #x
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#define PASTE(x,y) x ## y
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#include "prec.f90"
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module DAMASK_interface
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use prec
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#if __INTEL_COMPILER >= 1800
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use, intrinsic :: iso_fortran_env, only: &
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compiler_version, &
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compiler_options
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#endif
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use ifport, only: &
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CHDIR
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implicit none
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private
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logical, protected, public :: symmetricSolver
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character(len=*), parameter, public :: INPUTFILEEXTENSION = '.dat'
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logical, dimension(:,:), public, allocatable :: &
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calcMode !< calculate or collect (ping pong scheme)
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public :: &
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DAMASK_interface_init, &
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getSolverJobName
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief reports and sets working directory
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!--------------------------------------------------------------------------------------------------
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subroutine DAMASK_interface_init
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integer, dimension(8) :: dateAndTime
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integer :: ierr
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character(len=pPathLen) :: wd
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write(6,'(/,a)') ' <<<+- DAMASK_marc init -+>>>'
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write(6,'(/,a)') ' Roters et al., Computational Materials Science 158:420–478, 2019'
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write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
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write(6,'(/,a)') ' Version: '//DAMASKVERSION
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! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
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#if __INTEL_COMPILER >= 1800
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write(6,'(/,a)') ' Compiled with: '//compiler_version()
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write(6,'(a)') ' Compiler options: '//compiler_options()
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#else
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write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
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', build date :', __INTEL_COMPILER_BUILD_DATE
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#endif
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write(6,'(/,a)') ' Compiled on: '//__DATE__//' at '//__TIME__
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call date_and_time(values = dateAndTime)
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write(6,'(/,a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
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write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
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inquire(5, name=wd)
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wd = wd(1:scan(wd,'/',back=.true.))
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ierr = CHDIR(wd)
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if (ierr /= 0) then
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write(6,'(a20,a,a16)') ' working directory "',trim(wd),'" does not exist'
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call quit(1)
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endif
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symmetricSolver = solverIsSymmetric()
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end subroutine DAMASK_interface_init
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!--------------------------------------------------------------------------------------------------
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!> @brief solver job name (no extension) as combination of geometry and load case name
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!--------------------------------------------------------------------------------------------------
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function getSolverJobName()
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character(len=:), allocatable :: getSolverJobName
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character(1024) :: inputName
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character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash
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integer :: extPos
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inquire(5, name=inputName) ! determine inputfile
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extPos = len_trim(inputName)-4
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getSolverJobName=inputName(scan(inputName,pathSep,back=.true.)+1:extPos)
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end function getSolverJobName
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!--------------------------------------------------------------------------------------------------
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!> @brief determines whether a symmetric solver is used
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!--------------------------------------------------------------------------------------------------
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logical function solverIsSymmetric()
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character(len=pStringLen) :: line
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integer :: myStat,fileUnit,s,e
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open(newunit=fileUnit, file=getSolverJobName()//INPUTFILEEXTENSION, &
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status='old', position='rewind', action='read',iostat=myStat)
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do
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read (fileUnit,'(A)',END=100) line
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if(index(trim(lc(line)),'solver') == 1) then
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read (fileUnit,'(A)',END=100) line ! next line
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s = verify(line, ' ') ! start of first chunk
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s = s + verify(line(s+1:),' ') ! start of second chunk
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e = s + scan (line(s+1:),' ') ! end of second chunk
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solverIsSymmetric = line(s:e) /= '1'
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endif
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enddo
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100 close(fileUnit)
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief changes characters in string to lower case
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!> @details copied from IO_lc
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!--------------------------------------------------------------------------------------------------
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function lc(string)
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character(len=*), intent(in) :: string !< string to convert
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character(len=len(string)) :: lc
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character(26), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz'
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character(26), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
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integer :: i,n
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do i=1,len(string)
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lc(i:i) = string(i:i)
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n = index(UPPER,lc(i:i))
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if (n/=0) lc(i:i) = LOWER(n:n)
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enddo
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end function lc
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end function solverIsSymmetric
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end module DAMASK_interface
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#include "commercialFEM_fileList.f90"
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!--------------------------------------------------------------------------------------------------
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!> @brief This is the MSC.Marc user subroutine for defining material behavior
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!> @details (1) F,R,U are only available for continuum and membrane elements (not for
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!> @details shells and beams).
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!> @details
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!> @details (2) Use the -> 'Plasticity,3' card(=update+finite+large disp+constant d)
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!> @details in the parameter section of input deck (updated Lagrangian formulation).
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!--------------------------------------------------------------------------------------------------
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subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
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dispt,coord,ffn,frotn,strechn,eigvn,ffn1,frotn1, &
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strechn1,eigvn1,ncrd,itel,ndeg,ndm,nnode, &
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jtype,lclass,ifr,ifu)
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use prec
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use DAMASK_interface
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use numerics
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use FEsolving
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use debug
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use discretization_marc
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use homogenization
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use CPFEM
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implicit none
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!$ include "omp_lib.h" ! the openMP function library
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integer, intent(in) :: & ! according to MSC.Marc 2012 Manual D
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ngens, & !< size of stress-strain law
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nn, & !< integration point number
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ndi, & !< number of direct components
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nshear, & !< number of shear components
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ncrd, & !< number of coordinates
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itel, & !< dimension of F and R, either 2 or 3
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ndeg, & !< number of degrees of freedom
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ndm, & !< not specified in MSC.Marc 2012 Manual D
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nnode, & !< number of nodes per element
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jtype, & !< element type
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ifr, & !< set to 1 if R has been calculated
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ifu !< set to 1 if stretch has been calculated
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integer, dimension(2), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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m, & !< (1) user element number, (2) internal element number
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matus, & !< (1) user material identification number, (2) internal material identification number
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kcus, & !< (1) layer number, (2) internal layer number
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lclass !< (1) element class, (2) 0: displacement, 1: low order Herrmann, 2: high order Herrmann
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real(pReal), dimension(*), intent(in) :: & ! has dimension(1) according to MSC.Marc 2012 Manual D, but according to example hypela2.f dimension(*)
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e, & !< total elastic strain
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de, & !< increment of strain
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dt !< increment of state variables
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real(pReal), dimension(itel), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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strechn, & !< square of principal stretch ratios, lambda(i) at t=n
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strechn1 !< square of principal stretch ratios, lambda(i) at t=n+1
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real(pReal), dimension(3,3), intent(in) :: & ! has dimension(itel,*) according to MSC.Marc 2012 Manual D, but we alway assume dimension(3,3)
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ffn, & !< deformation gradient at t=n
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ffn1 !< deformation gradient at t=n+1
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real(pReal), dimension(itel,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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frotn, & !< rotation tensor at t=n
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eigvn, & !< i principal direction components for j eigenvalues at t=n
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frotn1, & !< rotation tensor at t=n+1
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eigvn1 !< i principal direction components for j eigenvalues at t=n+1
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real(pReal), dimension(ndeg,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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disp, & !< incremental displacements
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dispt !< displacements at t=n (at assembly, lovl=4) and displacements at t=n+1 (at stress recovery, lovl=6)
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real(pReal), dimension(ncrd,*), intent(in) :: & ! according to MSC.Marc 2012 Manual D
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coord !< coordinates
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real(pReal), dimension(*), intent(inout) :: & ! according to MSC.Marc 2012 Manual D
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t !< state variables (comes in at t=n, must be updated to have state variables at t=n+1)
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real(pReal), dimension(ndi+nshear), intent(out) :: & ! has dimension(*) according to MSC.Marc 2012 Manual D, but we need to loop over it
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s, & !< stress - should be updated by user
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g !< change in stress due to temperature effects
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real(pReal), dimension(ngens,ngens), intent(out) :: & ! according to MSC.Marc 2012 Manual D, but according to example hypela2.f dimension(ngens,*)
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d !< stress-strain law to be formed
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!--------------------------------------------------------------------------------------------------
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! Marc common blocks are in fixed format so they have to be reformated to free format (f90)
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! Beware of changes in newer Marc versions
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#include QUOTE(PASTE(./marc/include/concom,Marc4DAMASK)) ! concom is needed for inc, lovl
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#include QUOTE(PASTE(./marc/include/creeps,Marc4DAMASK)) ! creeps is needed for timinc (time increment)
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logical :: cutBack
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real(pReal), dimension(6) :: stress
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real(pReal), dimension(6,6) :: ddsdde
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integer :: computationMode, i, cp_en, node, CPnodeID
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!$ integer(4) :: defaultNumThreadsInt !< default value set by Marc
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if (iand(debug_level(debug_MARC),debug_LEVELBASIC) /= 0) then
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write(6,'(a,/,i8,i8,i2)') ' MSC.MARC information on shape of element(2), IP:', m, nn
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write(6,'(a,2(i1))') ' Jacobian: ', ngens,ngens
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write(6,'(a,i1)') ' Direct stress: ', ndi
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write(6,'(a,i1)') ' Shear stress: ', nshear
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write(6,'(a,i2)') ' DoF: ', ndeg
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write(6,'(a,i2)') ' Coordinates: ', ncrd
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write(6,'(a,i12)') ' Nodes: ', nnode
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write(6,'(a,i1)') ' Deformation gradient: ', itel
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n:', &
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transpose(ffn)
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write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') ' Deformation gradient at t=n+1:', &
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transpose(ffn1)
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endif
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!$ defaultNumThreadsInt = omp_get_num_threads() ! remember number of threads set by Marc
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!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
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if (.not. CPFEM_init_done) call CPFEM_initAll(m(1),nn)
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computationMode = 0 ! save initialization value, since it does not result in any calculation
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if (lovl == 4 ) then ! jacobian requested by marc
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if (timinc < theDelta .and. theInc == inc .and. lastLovl /= lovl) & ! first after cutback
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computationMode = CPFEM_RESTOREJACOBIAN
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elseif (lovl == 6) then ! stress requested by marc
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cp_en = mesh_FEM2DAMASK_elem(m(1))
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if (cptim > theTime .or. inc /= theInc) then ! reached "convergence"
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terminallyIll = .false.
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cycleCounter = -1 ! first calc step increments this to cycle = 0
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if (inc == 0) then ! >> start of analysis <<
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lastIncConverged = .false. ! no Jacobian backup
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outdatedByNewInc = .false. ! no aging of state
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calcMode = .false. ! pretend last step was collection
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lastLovl = lovl ! pretend that this is NOT the first after a lovl change
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write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> start of analysis..! ',m(1),nn
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flush(6)
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else if (inc - theInc > 1) then ! >> restart of broken analysis <<
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lastIncConverged = .false. ! no Jacobian backup
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outdatedByNewInc = .false. ! no aging of state
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calcMode = .true. ! pretend last step was calculation
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write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> restart of analysis..! ',m(1),nn
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flush(6)
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else ! >> just the next inc <<
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lastIncConverged = .true. ! request Jacobian backup
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outdatedByNewInc = .true. ! request aging of state
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calcMode = .true. ! assure last step was calculation
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write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> new increment..! ',m(1),nn
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flush(6)
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endif
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else if ( timinc < theDelta ) then ! >> cutBack <<
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lastIncConverged = .false. ! no Jacobian backup
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outdatedByNewInc = .false. ! no aging of state
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terminallyIll = .false.
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cycleCounter = -1 ! first calc step increments this to cycle = 0
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calcMode = .true. ! pretend last step was calculation
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write(6,'(a,i6,1x,i2)') '<< HYPELA2 >> cutback detected..! ',m(1),nn
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flush(6)
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endif ! convergence treatment end
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if (usePingPong) then
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calcMode(nn,cp_en) = .not. calcMode(nn,cp_en) ! ping pong (calc <--> collect)
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if (calcMode(nn,cp_en)) then ! now --- CALC ---
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computationMode = CPFEM_CALCRESULTS
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if (lastLovl /= lovl) then ! first after ping pong
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call debug_reset() ! resets debugging
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outdatedFFN1 = .false.
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cycleCounter = cycleCounter + 1
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!mesh_cellnode = mesh_build_cellnodes() ! update cell node coordinates
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!call mesh_build_ipCoordinates() ! update ip coordinates
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endif
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if (outdatedByNewInc) then
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computationMode = ior(computationMode,CPFEM_AGERESULTS) ! calc and age results
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outdatedByNewInc = .false. ! reset flag
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endif
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else ! now --- COLLECT ---
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computationMode = CPFEM_COLLECT ! plain collect
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if (lastLovl /= lovl .and. & .not. terminallyIll) &
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call debug_info() ! first after ping pong reports (meaningful) debugging
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if (lastIncConverged) then
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computationMode = ior(computationMode,CPFEM_BACKUPJACOBIAN) ! collect and backup Jacobian after convergence
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lastIncConverged = .false. ! reset flag
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endif
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!do node = 1,theMesh%elem%nNodes
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!CPnodeID = mesh_element(4+node,cp_en)
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!mesh_node(1:ndeg,CPnodeID) = mesh_node0(1:ndeg,CPnodeID) + numerics_unitlength * dispt(1:ndeg,node)
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!enddo
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endif
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else ! --- PLAIN MODE ---
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computationMode = CPFEM_CALCRESULTS ! always calc
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if (lastLovl /= lovl) then
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if (.not. terminallyIll) &
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call debug_info() ! first reports (meaningful) debugging
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call debug_reset() ! and resets debugging
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outdatedFFN1 = .false.
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cycleCounter = cycleCounter + 1
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!mesh_cellnode = mesh_build_cellnodes() ! update cell node coordinates
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!call mesh_build_ipCoordinates() ! update ip coordinates
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endif
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if (outdatedByNewInc) then
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computationMode = ior(computationMode,CPFEM_AGERESULTS)
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outdatedByNewInc = .false. ! reset flag
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endif
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if (lastIncConverged) then
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computationMode = ior(computationMode,CPFEM_BACKUPJACOBIAN) ! backup Jacobian after convergence
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lastIncConverged = .false. ! reset flag
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endif
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endif
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theTime = cptim ! record current starting time
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theDelta = timinc ! record current time increment
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theInc = inc ! record current increment number
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endif
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lastLovl = lovl ! record lovl
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call CPFEM_general(computationMode,usePingPong,ffn,ffn1,t(1),timinc,m(1),nn,stress,ddsdde)
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d = ddsdde(1:ngens,1:ngens)
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s = stress(1:ndi+nshear)
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g = 0.0_pReal
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if(symmetricSolver) d = 0.5_pReal*(d+transpose(d))
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!$ call omp_set_num_threads(defaultNumThreadsInt) ! reset number of threads to stored default value
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end subroutine hypela2
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!--------------------------------------------------------------------------------------------------
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!> @brief calculate internal heat generated due to inelastic energy dissipation
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!--------------------------------------------------------------------------------------------------
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subroutine flux(f,ts,n,time)
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use prec
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use thermal_conduction
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use discretization_marc
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implicit none
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real(pReal), dimension(6), intent(in) :: &
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ts
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integer, dimension(10), intent(in) :: &
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n
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real(pReal), intent(in) :: &
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time
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real(pReal), dimension(2), intent(out) :: &
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f
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call thermal_conduction_getSourceAndItsTangent(f(1), f(2), ts(3), n(3),mesh_FEM2DAMASK_elem(n(1)))
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end subroutine flux
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!--------------------------------------------------------------------------------------------------
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!> @brief trigger writing of results
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!> @details uedinc is called before each new increment, not at the end of a converged one.
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!> Therefore, storing the last written inc with an 'save' variable is required to avoid writing the
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! same increment multiple times.
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!--------------------------------------------------------------------------------------------------
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subroutine uedinc(inc,incsub)
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use prec
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use CPFEM
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implicit none
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integer, intent(in) :: inc, incsub
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integer, save :: inc_written
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#include QUOTE(PASTE(./marc/include/creeps,Marc4DAMASK)) ! creeps is needed for timinc (time increment)
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if (inc > inc_written) then
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call CPFEM_results(inc,cptim)
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inc_written = inc
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endif
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end subroutine uedinc
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