sorting according to physics
This commit is contained in:
Martin Diehl
Martin Diehl
parent
6c99f1a234
commit
4f4adf7d68
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@ -145,8 +145,6 @@ module homogenization
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integer, intent(in) :: &
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integer, intent(in) :: &
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ip, & !< integration point number
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ip, & !< integration point number
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el !< element number
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el !< element number
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integer :: &
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co
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real(pReal) :: M
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real(pReal) :: M
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end function damage_nonlocal_getMobility
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end function damage_nonlocal_getMobility
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@ -15,6 +15,7 @@ module phase
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use discretization
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use discretization
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use parallelization
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use parallelization
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use HDF5_utilities
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use HDF5_utilities
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implicit none
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implicit none
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private
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private
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@ -255,8 +256,6 @@ module phase
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TDot
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TDot
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end subroutine constitutive_thermal_getRate
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end subroutine constitutive_thermal_getRate
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module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
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module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
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integer, intent(in) :: &
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integer, intent(in) :: &
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instance, &
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instance, &
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@ -266,54 +265,6 @@ module phase
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orientation !< crystal orientation
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orientation !< crystal orientation
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end subroutine plastic_nonlocal_updateCompatibility
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end subroutine plastic_nonlocal_updateCompatibility
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module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
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real(pReal), dimension(3,3), intent(out) :: &
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Li !< inleastic velocity gradient
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real(pReal), dimension(3,3,3,3), intent(out) :: &
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dLi_dMi !< derivative of Li with respect to Mandel stress
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real(pReal), dimension(3,3), intent(in) :: &
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Mi !< Mandel stress
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integer, intent(in) :: &
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instance, &
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me
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end subroutine plastic_isotropic_LiAndItsTangent
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module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
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integer, intent(in) :: &
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co, & !< grain number
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ip, & !< integration point number
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el !< element number
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real(pReal), intent(in), dimension(3,3) :: &
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S
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real(pReal), intent(out), dimension(3,3) :: &
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Ld !< damage velocity gradient
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real(pReal), intent(out), dimension(3,3,3,3) :: &
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dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
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end subroutine kinematics_cleavage_opening_LiAndItsTangent
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module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
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integer, intent(in) :: &
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co, & !< grain number
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ip, & !< integration point number
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el !< element number
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real(pReal), intent(in), dimension(3,3) :: &
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S
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real(pReal), intent(out), dimension(3,3) :: &
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Ld !< damage velocity gradient
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real(pReal), intent(out), dimension(3,3,3,3) :: &
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dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
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end subroutine kinematics_slipplane_opening_LiAndItsTangent
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module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
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integer, intent(in) :: ph, me
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!< element number
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real(pReal), intent(out), dimension(3,3) :: &
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Li !< thermal velocity gradient
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real(pReal), intent(out), dimension(3,3,3,3) :: &
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dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
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end subroutine thermalexpansion_LiAndItsTangent
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module subroutine plastic_dependentState(co,ip,el)
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module subroutine plastic_dependentState(co,ip,el)
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integer, intent(in) :: &
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integer, intent(in) :: &
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co, & !< component-ID of integration point
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co, & !< component-ID of integration point
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@ -350,7 +301,6 @@ module phase
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constitutive_forward, &
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constitutive_forward, &
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constitutive_restore, &
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constitutive_restore, &
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plastic_nonlocal_updateCompatibility, &
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plastic_nonlocal_updateCompatibility, &
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kinematics_active, &
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converged, &
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converged, &
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crystallite_init, &
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crystallite_init, &
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crystallite_stress, &
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crystallite_stress, &
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@ -424,38 +374,6 @@ subroutine constitutive_init
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end subroutine constitutive_init
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end subroutine constitutive_init
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!--------------------------------------------------------------------------------------------------
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!> @brief checks if a kinematic mechanism is active or not
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!--------------------------------------------------------------------------------------------------
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function kinematics_active(kinematics_label,kinematics_length) result(active_kinematics)
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character(len=*), intent(in) :: kinematics_label !< name of kinematic mechanism
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integer, intent(in) :: kinematics_length !< max. number of kinematics in system
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logical, dimension(:,:), allocatable :: active_kinematics
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class(tNode), pointer :: &
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phases, &
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phase, &
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kinematics, &
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kinematics_type
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integer :: p,k
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phases => config_material%get('phase')
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allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
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do p = 1, phases%length
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phase => phases%get(p)
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kinematics => phase%get('kinematics',defaultVal=emptyList)
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do k = 1, kinematics%length
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kinematics_type => kinematics%get(k)
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if(kinematics_type%get_asString('type') == kinematics_label) active_kinematics(k,p) = .true.
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enddo
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enddo
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end function kinematics_active
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief Allocate the components of the state structure for a given phase
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!> @brief Allocate the components of the state structure for a given phase
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -57,7 +57,17 @@ submodule(phase) mechanics
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end subroutine plastic_init
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end subroutine plastic_init
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module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
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real(pReal), dimension(3,3), intent(out) :: &
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Li !< inleastic velocity gradient
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real(pReal), dimension(3,3,3,3), intent(out) :: &
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dLi_dMi !< derivative of Li with respect to Mandel stress
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real(pReal), dimension(3,3), intent(in) :: &
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Mi !< Mandel stress
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integer, intent(in) :: &
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instance, &
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me
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end subroutine plastic_isotropic_LiAndItsTangent
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module function plastic_dotState(subdt,co,ip,el,ph,me) result(broken)
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module function plastic_dotState(subdt,co,ip,el,ph,me) result(broken)
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@ -85,6 +95,25 @@ submodule(phase) mechanics
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end function plastic_deltaState
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end function plastic_deltaState
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module subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
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S, Fi, co, ip, el)
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integer, intent(in) :: &
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co, & !< component-ID of integration point
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ip, & !< integration point
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el !< element
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real(pReal), intent(in), dimension(3,3) :: &
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S !< 2nd Piola-Kirchhoff stress
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real(pReal), intent(in), dimension(3,3) :: &
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Fi !< intermediate deformation gradient
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real(pReal), intent(out), dimension(3,3) :: &
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Li !< intermediate velocity gradient
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real(pReal), intent(out), dimension(3,3,3,3) :: &
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dLi_dS, & !< derivative of Li with respect to S
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dLi_dFi
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end subroutine constitutive_LiAndItsTangents
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module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
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module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
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S, Fi, co, ip, el)
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S, Fi, co, ip, el)
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@ -173,8 +202,7 @@ module subroutine mech_init(phases)
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phase, &
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phase, &
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mech, &
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mech, &
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elastic, &
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elastic, &
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stiffDegradation, &
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stiffDegradation
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kinematics
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print'(/,a)', ' <<<+- constitutive_mech init -+>>>'
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print'(/,a)', ' <<<+- constitutive_mech init -+>>>'
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@ -318,31 +346,7 @@ module subroutine mech_init(phases)
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end subroutine mech_init
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end subroutine mech_init
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!--------------------------------------------------------------------------------------------------
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!> @brief checks if a plastic module is active or not
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!--------------------------------------------------------------------------------------------------
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function plastic_active(plastic_label) result(active_plastic)
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character(len=*), intent(in) :: plastic_label !< type of plasticity model
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logical, dimension(:), allocatable :: active_plastic
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class(tNode), pointer :: &
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phases, &
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phase, &
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mech, &
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pl
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integer :: ph
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phases => config_material%get('phase')
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allocate(active_plastic(phases%length), source = .false. )
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do ph = 1, phases%length
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phase => phases%get(ph)
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mech => phase%get('mechanics')
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pl => mech%get('plasticity')
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if(pl%get_asString('type') == plastic_label) active_plastic(ph) = .true.
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enddo
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end function plastic_active
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -486,7 +490,6 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
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ierr, & ! error indicator for LAPACK
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ierr, & ! error indicator for LAPACK
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o, &
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o, &
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p, &
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p, &
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m, &
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ph, &
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ph, &
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me, &
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me, &
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jacoCounterLp, &
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jacoCounterLp, &
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@ -1503,86 +1506,4 @@ module subroutine constitutive_mech_setF(F,co,ip,el)
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end subroutine constitutive_mech_setF
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end subroutine constitutive_mech_setF
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!--------------------------------------------------------------------------------------------------
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!> @brief contains the constitutive equation for calculating the velocity gradient
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! ToDo: MD: S is Mi?
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!--------------------------------------------------------------------------------------------------
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subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
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S, Fi, co, ip, el)
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integer, intent(in) :: &
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co, & !< component-ID of integration point
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ip, & !< integration point
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el !< element
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real(pReal), intent(in), dimension(3,3) :: &
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S !< 2nd Piola-Kirchhoff stress
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real(pReal), intent(in), dimension(3,3) :: &
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Fi !< intermediate deformation gradient
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real(pReal), intent(out), dimension(3,3) :: &
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Li !< intermediate velocity gradient
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real(pReal), intent(out), dimension(3,3,3,3) :: &
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dLi_dS, & !< derivative of Li with respect to S
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dLi_dFi
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real(pReal), dimension(3,3) :: &
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my_Li, & !< intermediate velocity gradient
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FiInv, &
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temp_33
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real(pReal), dimension(3,3,3,3) :: &
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my_dLi_dS
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real(pReal) :: &
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detFi
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integer :: &
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k, i, j, &
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instance, of, me, ph
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Li = 0.0_pReal
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dLi_dS = 0.0_pReal
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dLi_dFi = 0.0_pReal
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plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
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case (PLASTICITY_isotropic_ID) plasticityType
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of = material_phasememberAt(co,ip,el)
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instance = phase_plasticityInstance(material_phaseAt(co,el))
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call plastic_isotropic_LiAndItsTangent(my_Li, my_dLi_dS, S ,instance,of)
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case default plasticityType
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my_Li = 0.0_pReal
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my_dLi_dS = 0.0_pReal
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end select plasticityType
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Li = Li + my_Li
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dLi_dS = dLi_dS + my_dLi_dS
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KinematicsLoop: do k = 1, phase_Nkinematics(material_phaseAt(co,el))
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kinematicsType: select case (phase_kinematics(k,material_phaseAt(co,el)))
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case (KINEMATICS_cleavage_opening_ID) kinematicsType
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call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, co, ip, el)
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case (KINEMATICS_slipplane_opening_ID) kinematicsType
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call kinematics_slipplane_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, co, ip, el)
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case (KINEMATICS_thermal_expansion_ID) kinematicsType
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me = material_phaseMemberAt(co,ip,el)
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ph = material_phaseAt(co,el)
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call thermalexpansion_LiAndItsTangent(my_Li, my_dLi_dS, ph,me)
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case default kinematicsType
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my_Li = 0.0_pReal
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my_dLi_dS = 0.0_pReal
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end select kinematicsType
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Li = Li + my_Li
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dLi_dS = dLi_dS + my_dLi_dS
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enddo KinematicsLoop
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FiInv = math_inv33(Fi)
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detFi = math_det33(Fi)
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Li = matmul(matmul(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration
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temp_33 = matmul(FiInv,Li)
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do i = 1,3; do j = 1,3
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dLi_dS(1:3,1:3,i,j) = matmul(matmul(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi
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dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i)
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dLi_dFi(1:3,i,1:3,j) = dLi_dFi(1:3,i,1:3,j) + math_I3*temp_33(j,i) + Li*FiInv(j,i)
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enddo; enddo
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end subroutine constitutive_LiAndItsTangents
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end submodule mechanics
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end submodule mechanics
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@ -15,6 +15,42 @@ submodule(phase:mechanics) eigendeformation
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integer, intent(in) :: kinematics_length
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integer, intent(in) :: kinematics_length
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logical, dimension(:,:), allocatable :: myKinematics
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logical, dimension(:,:), allocatable :: myKinematics
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end function kinematics_thermal_expansion_init
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end function kinematics_thermal_expansion_init
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module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
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integer, intent(in) :: &
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co, & !< grain number
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ip, & !< integration point number
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el !< element number
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real(pReal), intent(in), dimension(3,3) :: &
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S
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real(pReal), intent(out), dimension(3,3) :: &
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Ld !< damage velocity gradient
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real(pReal), intent(out), dimension(3,3,3,3) :: &
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dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
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end subroutine kinematics_cleavage_opening_LiAndItsTangent
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module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
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integer, intent(in) :: &
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co, & !< grain number
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ip, & !< integration point number
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el !< element number
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||||||
|
real(pReal), intent(in), dimension(3,3) :: &
|
||||||
|
S
|
||||||
|
real(pReal), intent(out), dimension(3,3) :: &
|
||||||
|
Ld !< damage velocity gradient
|
||||||
|
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||||
|
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
|
||||||
|
end subroutine kinematics_slipplane_opening_LiAndItsTangent
|
||||||
|
|
||||||
|
module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
|
||||||
|
integer, intent(in) :: ph, me
|
||||||
|
!< element number
|
||||||
|
real(pReal), intent(out), dimension(3,3) :: &
|
||||||
|
Li !< thermal velocity gradient
|
||||||
|
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||||
|
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
|
||||||
|
end subroutine thermalexpansion_LiAndItsTangent
|
||||||
|
|
||||||
end interface
|
end interface
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -54,4 +90,118 @@ module subroutine eigendeformation_init(phases)
|
||||||
end subroutine eigendeformation_init
|
end subroutine eigendeformation_init
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief checks if a kinematic mechanism is active or not
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
function kinematics_active(kinematics_label,kinematics_length) result(active_kinematics)
|
||||||
|
|
||||||
|
character(len=*), intent(in) :: kinematics_label !< name of kinematic mechanism
|
||||||
|
integer, intent(in) :: kinematics_length !< max. number of kinematics in system
|
||||||
|
logical, dimension(:,:), allocatable :: active_kinematics
|
||||||
|
|
||||||
|
class(tNode), pointer :: &
|
||||||
|
phases, &
|
||||||
|
phase, &
|
||||||
|
kinematics, &
|
||||||
|
kinematics_type
|
||||||
|
integer :: p,k
|
||||||
|
|
||||||
|
phases => config_material%get('phase')
|
||||||
|
allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
|
||||||
|
do p = 1, phases%length
|
||||||
|
phase => phases%get(p)
|
||||||
|
kinematics => phase%get('kinematics',defaultVal=emptyList)
|
||||||
|
do k = 1, kinematics%length
|
||||||
|
kinematics_type => kinematics%get(k)
|
||||||
|
if(kinematics_type%get_asString('type') == kinematics_label) active_kinematics(k,p) = .true.
|
||||||
|
enddo
|
||||||
|
enddo
|
||||||
|
|
||||||
|
|
||||||
|
end function kinematics_active
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief contains the constitutive equation for calculating the velocity gradient
|
||||||
|
! ToDo: MD: S is Mi?
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
module subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
|
||||||
|
S, Fi, co, ip, el)
|
||||||
|
|
||||||
|
integer, intent(in) :: &
|
||||||
|
co, & !< component-ID of integration point
|
||||||
|
ip, & !< integration point
|
||||||
|
el !< element
|
||||||
|
real(pReal), intent(in), dimension(3,3) :: &
|
||||||
|
S !< 2nd Piola-Kirchhoff stress
|
||||||
|
real(pReal), intent(in), dimension(3,3) :: &
|
||||||
|
Fi !< intermediate deformation gradient
|
||||||
|
real(pReal), intent(out), dimension(3,3) :: &
|
||||||
|
Li !< intermediate velocity gradient
|
||||||
|
real(pReal), intent(out), dimension(3,3,3,3) :: &
|
||||||
|
dLi_dS, & !< derivative of Li with respect to S
|
||||||
|
dLi_dFi
|
||||||
|
|
||||||
|
real(pReal), dimension(3,3) :: &
|
||||||
|
my_Li, & !< intermediate velocity gradient
|
||||||
|
FiInv, &
|
||||||
|
temp_33
|
||||||
|
real(pReal), dimension(3,3,3,3) :: &
|
||||||
|
my_dLi_dS
|
||||||
|
real(pReal) :: &
|
||||||
|
detFi
|
||||||
|
integer :: &
|
||||||
|
k, i, j, &
|
||||||
|
instance, of, me, ph
|
||||||
|
|
||||||
|
Li = 0.0_pReal
|
||||||
|
dLi_dS = 0.0_pReal
|
||||||
|
dLi_dFi = 0.0_pReal
|
||||||
|
|
||||||
|
plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
|
||||||
|
case (PLASTICITY_isotropic_ID) plasticityType
|
||||||
|
of = material_phasememberAt(co,ip,el)
|
||||||
|
instance = phase_plasticityInstance(material_phaseAt(co,el))
|
||||||
|
call plastic_isotropic_LiAndItsTangent(my_Li, my_dLi_dS, S ,instance,of)
|
||||||
|
case default plasticityType
|
||||||
|
my_Li = 0.0_pReal
|
||||||
|
my_dLi_dS = 0.0_pReal
|
||||||
|
end select plasticityType
|
||||||
|
|
||||||
|
Li = Li + my_Li
|
||||||
|
dLi_dS = dLi_dS + my_dLi_dS
|
||||||
|
|
||||||
|
KinematicsLoop: do k = 1, phase_Nkinematics(material_phaseAt(co,el))
|
||||||
|
kinematicsType: select case (phase_kinematics(k,material_phaseAt(co,el)))
|
||||||
|
case (KINEMATICS_cleavage_opening_ID) kinematicsType
|
||||||
|
call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, co, ip, el)
|
||||||
|
case (KINEMATICS_slipplane_opening_ID) kinematicsType
|
||||||
|
call kinematics_slipplane_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, co, ip, el)
|
||||||
|
case (KINEMATICS_thermal_expansion_ID) kinematicsType
|
||||||
|
me = material_phaseMemberAt(co,ip,el)
|
||||||
|
ph = material_phaseAt(co,el)
|
||||||
|
call thermalexpansion_LiAndItsTangent(my_Li, my_dLi_dS, ph,me)
|
||||||
|
case default kinematicsType
|
||||||
|
my_Li = 0.0_pReal
|
||||||
|
my_dLi_dS = 0.0_pReal
|
||||||
|
end select kinematicsType
|
||||||
|
Li = Li + my_Li
|
||||||
|
dLi_dS = dLi_dS + my_dLi_dS
|
||||||
|
enddo KinematicsLoop
|
||||||
|
|
||||||
|
FiInv = math_inv33(Fi)
|
||||||
|
detFi = math_det33(Fi)
|
||||||
|
Li = matmul(matmul(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration
|
||||||
|
temp_33 = matmul(FiInv,Li)
|
||||||
|
|
||||||
|
do i = 1,3; do j = 1,3
|
||||||
|
dLi_dS(1:3,1:3,i,j) = matmul(matmul(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi
|
||||||
|
dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i)
|
||||||
|
dLi_dFi(1:3,i,1:3,j) = dLi_dFi(1:3,i,1:3,j) + math_I3*temp_33(j,i) + Li*FiInv(j,i)
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
end subroutine constitutive_LiAndItsTangents
|
||||||
|
|
||||||
|
|
||||||
end submodule eigendeformation
|
end submodule eigendeformation
|
||||||
|
|
|
||||||
|
|
@ -439,4 +439,31 @@ module function plastic_deltaState(co, ip, el, ph, of) result(broken)
|
||||||
|
|
||||||
end function plastic_deltaState
|
end function plastic_deltaState
|
||||||
|
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief checks if a plastic module is active or not
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
function plastic_active(plastic_label) result(active_plastic)
|
||||||
|
|
||||||
|
character(len=*), intent(in) :: plastic_label !< type of plasticity model
|
||||||
|
logical, dimension(:), allocatable :: active_plastic
|
||||||
|
|
||||||
|
class(tNode), pointer :: &
|
||||||
|
phases, &
|
||||||
|
phase, &
|
||||||
|
mech, &
|
||||||
|
pl
|
||||||
|
integer :: ph
|
||||||
|
|
||||||
|
phases => config_material%get('phase')
|
||||||
|
allocate(active_plastic(phases%length), source = .false. )
|
||||||
|
do ph = 1, phases%length
|
||||||
|
phase => phases%get(ph)
|
||||||
|
mech => phase%get('mechanics')
|
||||||
|
pl => mech%get('plasticity')
|
||||||
|
if(pl%get_asString('type') == plastic_label) active_plastic(ph) = .true.
|
||||||
|
enddo
|
||||||
|
|
||||||
|
end function plastic_active
|
||||||
|
|
||||||
end submodule plastic
|
end submodule plastic
|
||||||
|
|
|
||||||
|
|
@ -988,7 +988,6 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
|
||||||
el !< current element number
|
el !< current element number
|
||||||
|
|
||||||
integer :: &
|
integer :: &
|
||||||
ph, &
|
|
||||||
ns, & !< short notation for the total number of active slip systems
|
ns, & !< short notation for the total number of active slip systems
|
||||||
c, & !< character of dislocation
|
c, & !< character of dislocation
|
||||||
t, & !< type of dislocation
|
t, & !< type of dislocation
|
||||||
|
|
|
||||||
|
|
@ -187,8 +187,6 @@ module function thermal_stress(Delta_t,ph,me) result(converged_)
|
||||||
integer, intent(in) :: ph, me
|
integer, intent(in) :: ph, me
|
||||||
logical :: converged_
|
logical :: converged_
|
||||||
|
|
||||||
integer :: so
|
|
||||||
|
|
||||||
|
|
||||||
converged_ = .not. integrateThermalState(Delta_t,ph,me)
|
converged_ = .not. integrateThermalState(Delta_t,ph,me)
|
||||||
|
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue