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DAMASK_EICMD
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polishing

This commit is contained in:
Martin Diehl 2020-04-17 10:17:00 +02:00
parent 7fffa26d7f
commit 65c3831add
1 changed files with 15 additions and 18 deletions
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src/crystallite.f90
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@ -1301,9 +1301,9 @@ subroutine integrateStateAdaptiveEuler(todo)
end subroutine integrateStateAdaptiveEuler end subroutine integrateStateAdaptiveEuler
!-------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @brief integrate stress, state with 4th order explicit Runge Kutta method !> @brief Integrate state (including stress integration) with the classig Runge Kutta method
!-------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
subroutine integrateStateRK4(todo) subroutine integrateStateRK4(todo)
logical, dimension(:,:,:), intent(in) :: todo logical, dimension(:,:,:), intent(in) :: todo
@ -1312,22 +1312,20 @@ subroutine integrateStateRK4(todo)
A = reshape([& A = reshape([&
0.5_pReal, 0.0_pReal, 0.0_pReal, & 0.5_pReal, 0.0_pReal, 0.0_pReal, &
0.0_pReal, 0.5_pReal, 0.0_pReal, & 0.0_pReal, 0.5_pReal, 0.0_pReal, &
0.0_pReal, 0.0_pReal, 1.0_pReal], & 0.0_pReal, 0.0_pReal, 1.0_pReal],[3,3])
[3,3])
real(pReal), dimension(3), parameter :: & real(pReal), dimension(3), parameter :: &
CC = [0.5_pReal, 0.5_pReal, 1.0_pReal] ! factor giving the fraction of the original timestep used for Runge Kutta Integration C = [0.5_pReal, 0.5_pReal, 1.0_pReal]
real(pReal), dimension(4), parameter :: & real(pReal), dimension(4), parameter :: &
B = [1.0_pReal/6.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/6.0_pReal] ! weight of slope used for Runge Kutta integration (final weight divided by 6) B = [1.0_pReal/6.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/3.0_pReal, 1.0_pReal/6.0_pReal]
call integrateStateRK(todo,A,B,CC) call integrateStateRK(todo,A,B,C)
end subroutine integrateStateRK4 end subroutine integrateStateRK4
!-------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @brief integrate stress, state with 5th order Runge-Kutta Cash-Karp method with !> @brief Integrate state (including stress integration) with the Cash-Carp method
!> adaptive step size (use 5th order solution to advance = "local extrapolation") !---------------------------------------------------------------------------------------------------
!--------------------------------------------------------------------------------------------------
subroutine integrateStateRKCK45(todo) subroutine integrateStateRKCK45(todo)
logical, dimension(:,:,:), intent(in) :: todo logical, dimension(:,:,:), intent(in) :: todo
@ -1339,21 +1337,20 @@ subroutine integrateStateRKCK45(todo)
.0_pReal, .0_pReal, 1.2_pReal, -70.0_pReal/27.0_pReal, 575.0_pReal/13824.0_pReal, & .0_pReal, .0_pReal, 1.2_pReal, -70.0_pReal/27.0_pReal, 575.0_pReal/13824.0_pReal, &
.0_pReal, .0_pReal, .0_pReal, 35.0_pReal/27.0_pReal, 44275.0_pReal/110592.0_pReal, & .0_pReal, .0_pReal, .0_pReal, 35.0_pReal/27.0_pReal, 44275.0_pReal/110592.0_pReal, &
.0_pReal, .0_pReal, .0_pReal, .0_pReal, 253.0_pReal/4096.0_pReal], & .0_pReal, .0_pReal, .0_pReal, .0_pReal, 253.0_pReal/4096.0_pReal], &
[5,5], order=[2,1]) !< coefficients in Butcher tableau (used for preliminary integration in stages 2 to 6) [5,5], order=[2,1])
real(pReal), dimension(6), parameter :: & real(pReal), dimension(6), parameter :: &
B = & B = &
[37.0_pReal/378.0_pReal, .0_pReal, 250.0_pReal/621.0_pReal, & [37.0_pReal/378.0_pReal, .0_pReal, 250.0_pReal/621.0_pReal, &
125.0_pReal/594.0_pReal, .0_pReal, 512.0_pReal/1771.0_pReal], & !< coefficients in Butcher tableau (used for final integration and error estimate) 125.0_pReal/594.0_pReal, .0_pReal, 512.0_pReal/1771.0_pReal], &
DB = B - & DB = B - &
[2825.0_pReal/27648.0_pReal, .0_pReal, 18575.0_pReal/48384.0_pReal,& [2825.0_pReal/27648.0_pReal, .0_pReal, 18575.0_pReal/48384.0_pReal,&
13525.0_pReal/55296.0_pReal, 277.0_pReal/14336.0_pReal, 0.25_pReal] !< coefficients in Butcher tableau (used for final integration and error estimate) 13525.0_pReal/55296.0_pReal, 277.0_pReal/14336.0_pReal, 0.25_pReal]
real(pReal), dimension(5), parameter :: & real(pReal), dimension(5), parameter :: &
CC = [0.2_pReal, 0.3_pReal, 0.6_pReal, 1.0_pReal, 0.875_pReal] !< coefficients in Butcher tableau (fractions of original time step in stages 2 to 6) C = [0.2_pReal, 0.3_pReal, 0.6_pReal, 1.0_pReal, 0.875_pReal]
call integrateStateRK(todo,A,B,CC,DB)
call integrateStateRK(todo,A,B,C,DB)
end subroutine integrateStateRKCK45 end subroutine integrateStateRKCK45