Re-written YAML types

Strict typing for YAML

New access pattern requires to specify the expected type, i.e. 'scalar', 'list', or 'dict'. This ensures that the node offers the expected functionality instead of polluting 'tNode' with dummy functions which throw error messages if not overwritten.

The restructuring of the code allows to hierarchically construct methods without much code duplication.

Some aspects of the error messaging system have been improved.
This commit is contained in:
Martin Diehl 2022-10-25 16:09:36 +00:00 committed by Daniel Otto de Mentock
parent 71c686b508
commit df5487e1a9
45 changed files with 1405 additions and 1418 deletions

View File

@ -14,8 +14,8 @@ if (OPTIMIZATION STREQUAL "OFF" OR OPTIMIZATION STREQUAL "DEBUG")
elseif (OPTIMIZATION STREQUAL "DEFENSIVE") elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2") set (OPTIMIZATION_FLAGS "-O2")
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE") elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-ipo -O3 -fp-model fast=2 -xHost") #set (OPTIMIZATION_FLAGS "-ipo -O3 -fp-model fast=2 -xHost") # ifx 2022.0 has problems with YAML types and IPO
# -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost" set (OPTIMIZATION_FLAGS "-O3 -fp-model fast=2 -xHost")
endif () endif ()
# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules # -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules

View File

@ -283,7 +283,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
outdatedByNewInc = .false., & !< needs description outdatedByNewInc = .false., & !< needs description
materialpoint_init_done = .false., & !< remember whether init has been done already materialpoint_init_done = .false., & !< remember whether init has been done already
debug_basic = .true. debug_basic = .true.
class(tNode), pointer :: & type(tList), pointer :: &
debug_Marc ! pointer to Marc debug options debug_Marc ! pointer to Marc debug options
if(debug_basic) then if(debug_basic) then
@ -307,7 +307,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
if (.not. materialpoint_init_done) then if (.not. materialpoint_init_done) then
materialpoint_init_done = .true. materialpoint_init_done = .true.
call materialpoint_initAll call materialpoint_initAll
debug_Marc => config_debug%get('Marc',defaultVal=emptyList) debug_Marc => config_debug%get_list('Marc',defaultVal=emptyList)
debug_basic = debug_Marc%contains('basic') debug_basic = debug_Marc%contains('basic')
endif endif

View File

@ -69,7 +69,7 @@ subroutine discretization_Marc_init
real(pReal), dimension(:,:,:,:), allocatable :: & real(pReal), dimension(:,:,:,:), allocatable :: &
unscaledNormals unscaledNormals
class(tNode), pointer :: & type(tDict), pointer :: &
num_commercialFEM num_commercialFEM
@ -78,7 +78,7 @@ subroutine discretization_Marc_init
debug_e = config_debug%get_asInt('element',defaultVal=1) debug_e = config_debug%get_asInt('element',defaultVal=1)
debug_i = config_debug%get_asInt('integrationpoint',defaultVal=1) debug_i = config_debug%get_asInt('integrationpoint',defaultVal=1)
num_commercialFEM => config_numerics%get('commercialFEM',defaultVal = emptyDict) num_commercialFEM => config_numerics%get_dict('commercialFEM',defaultVal = emptyDict)
mesh_unitlength = num_commercialFEM%get_asFloat('unitlength',defaultVal=1.0_pReal) ! set physical extent of a length unit in mesh mesh_unitlength = num_commercialFEM%get_asFloat('unitlength',defaultVal=1.0_pReal) ! set physical extent of a length unit in mesh
if (mesh_unitlength <= 0.0_pReal) call IO_error(301,'unitlength') if (mesh_unitlength <= 0.0_pReal) call IO_error(301,'unitlength')

View File

@ -101,9 +101,10 @@ end subroutine materialpoint_initAll
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine materialpoint_init subroutine materialpoint_init
class(tNode), pointer :: & type(tList), pointer :: &
debug_materialpoint debug_materialpoint
print'(/,1x,a)', '<<<+- materialpoint init -+>>>'; flush(IO_STDOUT) print'(/,1x,a)', '<<<+- materialpoint init -+>>>'; flush(IO_STDOUT)
allocate(materialpoint_cs( 6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal) allocate(materialpoint_cs( 6,discretization_nIPs,discretization_Nelems), source= 0.0_pReal)
@ -113,7 +114,7 @@ subroutine materialpoint_init
!------------------------------------------------------------------------------ !------------------------------------------------------------------------------
! read debug options ! read debug options
debug_materialpoint => config_debug%get('materialpoint',defaultVal=emptyList) debug_materialpoint => config_debug%get_list('materialpoint',defaultVal=emptyList)
debugmaterialpoint%basic = debug_materialpoint%contains('basic') debugmaterialpoint%basic = debug_materialpoint%contains('basic')
debugmaterialpoint%extensive = debug_materialpoint%contains('extensive') debugmaterialpoint%extensive = debug_materialpoint%contains('extensive')
debugmaterialpoint%selective = debug_materialpoint%contains('selective') debugmaterialpoint%selective = debug_materialpoint%contains('selective')

View File

@ -17,7 +17,8 @@ module YAML_parse
public :: & public :: &
YAML_parse_init, & YAML_parse_init, &
YAML_parse_str YAML_parse_str_asList, &
YAML_parse_str_asDict
#ifdef FYAML #ifdef FYAML
interface interface
@ -53,16 +54,37 @@ end subroutine YAML_parse_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Parse a YAML string into a a structure of nodes. !> @brief Parse a YAML string with list as root into a a structure of nodes.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function YAML_parse_str(str) result(node) function YAML_parse_str_asList(str) result(list)
character(len=*), intent(in) :: str character(len=*), intent(in) :: str
type(tList), pointer :: list
class(tNode), pointer :: node class(tNode), pointer :: node
node => parse_flow(to_flow(str))
end function YAML_parse_str node => parse_flow(to_flow(str))
list => node%asList()
end function YAML_parse_str_asList
!--------------------------------------------------------------------------------------------------
!> @brief Parse a YAML string with dict as root into a a structure of nodes.
!--------------------------------------------------------------------------------------------------
function YAML_parse_str_asDict(str) result(dict)
character(len=*), intent(in) :: str
type(tDict), pointer :: dict
class(tNode), pointer :: node
node => parse_flow(to_flow(str))
dict => node%asDict()
end function YAML_parse_str_asDict
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

File diff suppressed because it is too large Load Diff

View File

@ -12,7 +12,7 @@ module config
implicit none(type,external) implicit none(type,external)
private private
class(tNode), pointer, public :: & type(tDict), pointer, public :: &
config_material, & config_material, &
config_numerics, & config_numerics, &
config_debug config_debug
@ -58,7 +58,7 @@ subroutine parse_material()
end if end if
call parallelization_bcast_str(fileContent) call parallelization_bcast_str(fileContent)
config_material => YAML_parse_str(fileContent) config_material => YAML_parse_str_asDict(fileContent)
end subroutine parse_material end subroutine parse_material
@ -88,7 +88,7 @@ subroutine parse_numerics()
end if end if
call parallelization_bcast_str(fileContent) call parallelization_bcast_str(fileContent)
config_numerics => YAML_parse_str(fileContent) config_numerics => YAML_parse_str_asDict(fileContent)
end if end if
@ -120,7 +120,7 @@ subroutine parse_debug()
end if end if
call parallelization_bcast_str(fileContent) call parallelization_bcast_str(fileContent)
config_debug => YAML_parse_str(fileContent) config_debug => YAML_parse_str_asDict(fileContent)
end if end if

View File

@ -107,14 +107,20 @@ program DAMASK_grid
external :: & external :: &
quit quit
class(tNode), pointer :: & class(tNode), pointer :: &
num_grid, & tmp
type(tDict), pointer :: &
config_load, & config_load, &
load_steps, & num_grid, &
load_step, & load_step, &
solver, & solver, &
step_bc, & step_bc, &
step_mech, & step_mech, &
step_discretization step_discretization
type(tList), pointer :: &
#ifdef __INTEL_LLVM_COMPILER
tensor, &
#endif
load_steps
character(len=:), allocatable :: & character(len=:), allocatable :: &
fileContent, fname fileContent, fname
@ -130,7 +136,7 @@ program DAMASK_grid
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! reading field paramters from numerics file and do sanity checks ! reading field paramters from numerics file and do sanity checks
num_grid => config_numerics%get('grid', defaultVal=emptyDict) num_grid => config_numerics%get_dict('grid', defaultVal=emptyDict)
stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10) stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10)
maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3) maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3)
@ -147,8 +153,8 @@ program DAMASK_grid
endif endif
call parallelization_bcast_str(fileContent) call parallelization_bcast_str(fileContent)
config_load => YAML_parse_str(fileContent) config_load => YAML_parse_str_asDict(fileContent)
solver => config_load%get('solver') solver => config_load%get_dict('solver')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! assign mechanics solver depending on selected type ! assign mechanics solver depending on selected type
@ -202,31 +208,39 @@ program DAMASK_grid
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
load_steps => config_load%get('loadstep') load_steps => config_load%get_list('loadstep')
allocate(loadCases(load_steps%length)) ! array of load cases allocate(loadCases(load_steps%length)) ! array of load cases
do l = 1, load_steps%length do l = 1, load_steps%length
load_step => load_steps%get(l) load_step => load_steps%get_dict(l)
step_bc => load_step%get('boundary_conditions') step_bc => load_step%get_dict('boundary_conditions')
step_mech => step_bc%get('mechanical') step_mech => step_bc%get_dict('mechanical')
loadCases(l)%stress%myType='' loadCases(l)%stress%myType=''
readMech: do m = 1, step_mech%length readMech: do m = 1, step_mech%length
select case (step_mech%getKey(m)) select case (step_mech%key(m))
case ('L','dot_F','F') ! assign values for the deformation BC matrix case ('L','dot_F','F') ! assign values for the deformation BC matrix
loadCases(l)%deformation%myType = step_mech%getKey(m) loadCases(l)%deformation%myType = step_mech%key(m)
call getMaskedTensor(loadCases(l)%deformation%values,loadCases(l)%deformation%mask,step_mech%get(m)) #ifdef __INTEL_LLVM_COMPILER
tensor => step_mech%get_list(m)
call getMaskedTensor(loadCases(l)%deformation%values,loadCases(l)%deformation%mask,tensor)
#else
call getMaskedTensor(loadCases(l)%deformation%values,loadCases(l)%deformation%mask,step_mech%get_list(m))
#endif
case ('dot_P','P') case ('dot_P','P')
loadCases(l)%stress%myType = step_mech%getKey(m) loadCases(l)%stress%myType = step_mech%key(m)
call getMaskedTensor(loadCases(l)%stress%values,loadCases(l)%stress%mask,step_mech%get(m)) #ifdef __INTEL_LLVM_COMPILER
tensor => step_mech%get_list(m)
call getMaskedTensor(loadCases(l)%stress%values,loadCases(l)%stress%mask,tensor)
#else
call getMaskedTensor(loadCases(l)%stress%values,loadCases(l)%stress%mask,step_mech%get_list(m))
#endif
end select end select
call loadCases(l)%rot%fromAxisAngle(step_mech%get_as1dFloat('R',defaultVal = real([0.0,0.0,1.0,0.0],pReal)),degrees=.true.) call loadCases(l)%rot%fromAxisAngle(step_mech%get_as1dFloat('R',defaultVal = real([0.0,0.0,1.0,0.0],pReal)),degrees=.true.)
enddo readMech enddo readMech
if (.not. allocated(loadCases(l)%deformation%myType)) call IO_error(error_ID=837,ext_msg = 'L/dot_F/F missing') if (.not. allocated(loadCases(l)%deformation%myType)) call IO_error(error_ID=837,ext_msg = 'L/dot_F/F missing')
step_discretization => load_step%get('discretization') step_discretization => load_step%get_dict('discretization')
if (.not. step_discretization%contains('t')) call IO_error(error_ID=837,ext_msg = 't missing')
if (.not. step_discretization%contains('N')) call IO_error(error_ID=837,ext_msg = 'N missing')
loadCases(l)%t = step_discretization%get_asFloat('t') loadCases(l)%t = step_discretization%get_asFloat('t')
loadCases(l)%N = step_discretization%get_asInt ('N') loadCases(l)%N = step_discretization%get_asInt ('N')
loadCases(l)%r = step_discretization%get_asFloat('r',defaultVal= 1.0_pReal) loadCases(l)%r = step_discretization%get_asFloat('r',defaultVal= 1.0_pReal)
@ -499,15 +513,15 @@ subroutine getMaskedTensor(values,mask,tensor)
real(pReal), intent(out), dimension(3,3) :: values real(pReal), intent(out), dimension(3,3) :: values
logical, intent(out), dimension(3,3) :: mask logical, intent(out), dimension(3,3) :: mask
class (tNode), pointer :: tensor type(tList), pointer :: tensor
class (tNode), pointer :: row type(tList), pointer :: row
integer :: i,j integer :: i,j
values = 0.0_pReal values = 0.0_pReal
do i = 1,3 do i = 1,3
row => tensor%get(i) row => tensor%get_list(i)
do j = 1,3 do j = 1,3
mask(i,j) = row%get_asString(j) == 'x' mask(i,j) = row%get_asString(j) == 'x'
if (.not. mask(i,j)) values(i,j) = row%get_asFloat(j) if (.not. mask(i,j)) values(i,j) = row%get_asFloat(j)

View File

@ -76,7 +76,7 @@ subroutine grid_damage_spectral_init()
Vec :: uBound, lBound Vec :: uBound, lBound
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
class(tNode), pointer :: & type(tDict), pointer :: &
num_grid, & num_grid, &
num_generic num_generic
character(len=pStringLen) :: & character(len=pStringLen) :: &
@ -89,12 +89,12 @@ subroutine grid_damage_spectral_init()
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks ! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict) num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
num%itmax = num_grid%get_asInt ('itmax',defaultVal=250) num%itmax = num_grid%get_asInt ('itmax',defaultVal=250)
num%eps_damage_atol = num_grid%get_asFloat ('eps_damage_atol',defaultVal=1.0e-2_pReal) num%eps_damage_atol = num_grid%get_asFloat ('eps_damage_atol',defaultVal=1.0e-2_pReal)
num%eps_damage_rtol = num_grid%get_asFloat ('eps_damage_rtol',defaultVal=1.0e-6_pReal) num%eps_damage_rtol = num_grid%get_asFloat ('eps_damage_rtol',defaultVal=1.0e-6_pReal)
num_generic => config_numerics%get('generic',defaultVal=emptyDict) num_generic => config_numerics%get_dict('generic',defaultVal=emptyDict)
num%residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal) num%residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal)
if (num%residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness') if (num%residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness')

View File

@ -117,22 +117,24 @@ subroutine grid_mechanical_FEM_init
u_current,u_lastInc u_current,u_lastInc
PetscInt, dimension(0:worldsize-1) :: localK PetscInt, dimension(0:worldsize-1) :: localK
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
class(tNode), pointer :: & type(tDict), pointer :: &
num_grid, & num_grid
type(tList), pointer :: &
debug_grid debug_grid
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
print'(/,1x,a)', '<<<+- grid_mechanical_FEM init -+>>>'; flush(IO_STDOUT) print'(/,1x,a)', '<<<+- grid_mechanical_FEM init -+>>>'; flush(IO_STDOUT)
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! debugging options ! debugging options
debug_grid => config_debug%get('grid',defaultVal=emptyList) debug_grid => config_debug%get_list('grid',defaultVal=emptyList)
debugRotation = debug_grid%contains('rotation') debugRotation = debug_grid%contains('rotation')
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks ! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict) num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
num%eps_div_atol = num_grid%get_asFloat('eps_div_atol', defaultVal=1.0e-4_pReal) num%eps_div_atol = num_grid%get_asFloat('eps_div_atol', defaultVal=1.0e-4_pReal)
num%eps_div_rtol = num_grid%get_asFloat('eps_div_rtol', defaultVal=5.0e-4_pReal) num%eps_div_rtol = num_grid%get_asFloat('eps_div_rtol', defaultVal=5.0e-4_pReal)

View File

@ -118,12 +118,14 @@ subroutine grid_mechanical_spectral_basic_init
#else #else
integer :: fileUnit integer :: fileUnit
#endif #endif
class (tNode), pointer :: & type(tDict), pointer :: &
num_grid, & num_grid
type(tList), pointer :: &
debug_grid debug_grid
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
print'(/,1x,a)', '<<<+- grid_mechanical_spectral_basic init -+>>>'; flush(IO_STDOUT) print'(/,1x,a)', '<<<+- grid_mechanical_spectral_basic init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', 'P. Eisenlohr et al., International Journal of Plasticity 46:3753, 2013' print'(/,1x,a)', 'P. Eisenlohr et al., International Journal of Plasticity 46:3753, 2013'
@ -134,12 +136,12 @@ subroutine grid_mechanical_spectral_basic_init
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! debugging options ! debugging options
debug_grid => config_debug%get('grid',defaultVal=emptyList) debug_grid => config_debug%get_list('grid',defaultVal=emptyList)
debugRotation = debug_grid%contains('rotation') debugRotation = debug_grid%contains('rotation')
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks ! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict) num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.) num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
num%eps_div_atol = num_grid%get_asFloat('eps_div_atol', defaultVal=1.0e-4_pReal) num%eps_div_atol = num_grid%get_asFloat('eps_div_atol', defaultVal=1.0e-4_pReal)

View File

@ -131,8 +131,9 @@ subroutine grid_mechanical_spectral_polarisation_init
#else #else
integer :: fileUnit integer :: fileUnit
#endif #endif
class (tNode), pointer :: & type(tDict), pointer :: &
num_grid, & num_grid
type(tList), pointer :: &
debug_grid debug_grid
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
@ -144,12 +145,12 @@ subroutine grid_mechanical_spectral_polarisation_init
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! debugging options ! debugging options
debug_grid => config_debug%get('grid',defaultVal=emptyList) debug_grid => config_debug%get_list('grid',defaultVal=emptyList)
debugRotation = debug_grid%contains('rotation') debugRotation = debug_grid%contains('rotation')
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks ! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict) num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.) num%update_gamma = num_grid%get_asBool ('update_gamma', defaultVal=.false.)
num%eps_div_atol = num_grid%get_asFloat('eps_div_atol', defaultVal=1.0e-4_pReal) num%eps_div_atol = num_grid%get_asFloat('eps_div_atol', defaultVal=1.0e-4_pReal)

View File

@ -78,7 +78,7 @@ subroutine grid_thermal_spectral_init()
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
class(tNode), pointer :: & type(tDict), pointer :: &
num_grid num_grid
print'(/,1x,a)', '<<<+- grid_thermal_spectral init -+>>>' print'(/,1x,a)', '<<<+- grid_thermal_spectral init -+>>>'
@ -88,7 +88,7 @@ subroutine grid_thermal_spectral_init()
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! read numerical parameters and do sanity checks ! read numerical parameters and do sanity checks
num_grid => config_numerics%get('grid',defaultVal=emptyDict) num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
num%itmax = num_grid%get_asInt ('itmax', defaultVal=250) num%itmax = num_grid%get_asInt ('itmax', defaultVal=250)
num%eps_thermal_atol = num_grid%get_asFloat ('eps_thermal_atol',defaultVal=1.0e-2_pReal) num%eps_thermal_atol = num_grid%get_asFloat ('eps_thermal_atol',defaultVal=1.0e-2_pReal)
num%eps_thermal_rtol = num_grid%get_asFloat ('eps_thermal_rtol',defaultVal=1.0e-6_pReal) num%eps_thermal_rtol = num_grid%get_asFloat ('eps_thermal_rtol',defaultVal=1.0e-6_pReal)

View File

@ -166,9 +166,11 @@ subroutine spectral_utilities_init()
tensorSize = 9_C_INTPTR_T tensorSize = 9_C_INTPTR_T
character(len=*), parameter :: & character(len=*), parameter :: &
PETSCDEBUG = ' -snes_view -snes_monitor ' PETSCDEBUG = ' -snes_view -snes_monitor '
class(tNode) , pointer :: & type(tDict) , pointer :: &
num_grid, & num_grid
debug_grid ! pointer to grid debug options type(tList) , pointer :: &
debug_grid
print'(/,1x,a)', '<<<+- spectral_utilities init -+>>>' print'(/,1x,a)', '<<<+- spectral_utilities init -+>>>'
@ -186,9 +188,9 @@ subroutine spectral_utilities_init()
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set debugging parameters ! set debugging parameters
num_grid => config_numerics%get('grid',defaultVal=emptyDict) num_grid => config_numerics%get_dict('grid',defaultVal=emptyDict)
debug_grid => config_debug%get('grid',defaultVal=emptyList) debug_grid => config_debug%get_List('grid',defaultVal=emptyList)
debugGeneral = debug_grid%contains('basic') debugGeneral = debug_grid%contains('basic')
debugRotation = debug_grid%contains('rotation') debugRotation = debug_grid%contains('rotation')
debugPETSc = debug_grid%contains('PETSc') debugPETSc = debug_grid%contains('PETSc')

View File

@ -196,7 +196,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_init() subroutine homogenization_init()
class (tNode) , pointer :: & type(tDict) , pointer :: &
num_homog, & num_homog, &
num_homogGeneric num_homogGeneric
@ -207,8 +207,8 @@ subroutine homogenization_init()
allocate(damageState_h (size(material_name_homogenization))) allocate(damageState_h (size(material_name_homogenization)))
call parseHomogenization() call parseHomogenization()
num_homog => config_numerics%get('homogenization',defaultVal=emptyDict) num_homog => config_numerics%get_dict('homogenization',defaultVal=emptyDict)
num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict) num_homogGeneric => num_homog%get_dict('generic',defaultVal=emptyDict)
num%nMPstate = num_homogGeneric%get_asInt('nMPstate',defaultVal=10) num%nMPstate = num_homogGeneric%get_asInt('nMPstate',defaultVal=10)
if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate') if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
@ -447,7 +447,7 @@ end subroutine homogenization_restartRead
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine parseHomogenization subroutine parseHomogenization
class(tNode), pointer :: & type(tDict), pointer :: &
material_homogenization, & material_homogenization, &
homog, & homog, &
homogThermal, & homogThermal, &
@ -455,17 +455,17 @@ subroutine parseHomogenization
integer :: h integer :: h
material_homogenization => config_material%get('homogenization') material_homogenization => config_material%get_dict('homogenization')
allocate(thermal_type(size(material_name_homogenization)),source=THERMAL_UNDEFINED_ID) allocate(thermal_type(size(material_name_homogenization)),source=THERMAL_UNDEFINED_ID)
allocate(thermal_active(size(material_name_homogenization)),source=.false.) allocate(thermal_active(size(material_name_homogenization)),source=.false.)
allocate(damage_active(size(material_name_homogenization)),source=.false.) allocate(damage_active(size(material_name_homogenization)),source=.false.)
do h=1, size(material_name_homogenization) do h=1, size(material_name_homogenization)
homog => material_homogenization%get(h) homog => material_homogenization%get_dict(h)
if (homog%contains('thermal')) then if (homog%contains('thermal')) then
homogThermal => homog%get('thermal') homogThermal => homog%get_dict('thermal')
select case (homogThermal%get_asString('type')) select case (homogThermal%get_asString('type'))
case('pass') case('pass')
thermal_type(h) = THERMAL_PASS_ID thermal_type(h) = THERMAL_PASS_ID
@ -479,7 +479,7 @@ subroutine parseHomogenization
end if end if
if (homog%contains('damage')) then if (homog%contains('damage')) then
homogDamage => homog%get('damage') homogDamage => homog%get_dict('damage')
select case (homogDamage%get_asString('type')) select case (homogDamage%get_asString('type'))
case('pass') case('pass')
damage_active(h) = .true. damage_active(h) = .true.

View File

@ -32,7 +32,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine damage_init() module subroutine damage_init()
class(tNode), pointer :: & type(tDict), pointer :: &
configHomogenizations, & configHomogenizations, &
configHomogenization, & configHomogenization, &
configHomogenizationDamage configHomogenizationDamage
@ -42,17 +42,17 @@ module subroutine damage_init()
print'(/,1x,a)', '<<<+- homogenization:damage init -+>>>' print'(/,1x,a)', '<<<+- homogenization:damage init -+>>>'
configHomogenizations => config_material%get('homogenization') configHomogenizations => config_material%get_dict('homogenization')
allocate(param(configHomogenizations%length)) allocate(param(configHomogenizations%length))
allocate(current(configHomogenizations%length)) allocate(current(configHomogenizations%length))
do ho = 1, configHomogenizations%length do ho = 1, configHomogenizations%length
Nmembers = count(material_homogenizationID == ho) Nmembers = count(material_homogenizationID == ho)
allocate(current(ho)%phi(Nmembers), source=1.0_pReal) allocate(current(ho)%phi(Nmembers), source=1.0_pReal)
configHomogenization => configHomogenizations%get(ho) configHomogenization => configHomogenizations%get_dict(ho)
associate(prm => param(ho)) associate(prm => param(ho))
if (configHomogenization%contains('damage')) then if (configHomogenization%contains('damage')) then
configHomogenizationDamage => configHomogenization%get('damage') configHomogenizationDamage => configHomogenization%get_dict('damage')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_as1dString(configHomogenizationDamage) prm%output = output_as1dString(configHomogenizationDamage)
#else #else

View File

@ -222,7 +222,7 @@ end subroutine mechanical_results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine parseMechanical() subroutine parseMechanical()
class(tNode), pointer :: & type(tDict), pointer :: &
material_homogenization, & material_homogenization, &
homog, & homog, &
mechanical mechanical
@ -230,14 +230,14 @@ subroutine parseMechanical()
integer :: ho integer :: ho
material_homogenization => config_material%get('homogenization') material_homogenization => config_material%get_dict('homogenization')
allocate(mechanical_type(size(material_name_homogenization)), source=MECHANICAL_UNDEFINED_ID) allocate(mechanical_type(size(material_name_homogenization)), source=MECHANICAL_UNDEFINED_ID)
allocate(output_mechanical(size(material_name_homogenization))) allocate(output_mechanical(size(material_name_homogenization)))
do ho=1, size(material_name_homogenization) do ho=1, size(material_name_homogenization)
homog => material_homogenization%get(ho) homog => material_homogenization%get_dict(ho)
mechanical => homog%get('mechanical') mechanical => homog%get_dict('mechanical')
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
output_mechanical(ho)%label = output_as1dString(mechanical) output_mechanical(ho)%label = output_as1dString(mechanical)
#else #else

View File

@ -78,7 +78,7 @@ module subroutine RGC_init()
Nmembers, & Nmembers, &
sizeState, nIntFaceTot sizeState, nIntFaceTot
class (tNode), pointer :: & class(tDict), pointer :: &
num_homogenization, & num_homogenization, &
num_mechanical, & num_mechanical, &
num_RGC, & ! pointer to RGC numerics data num_RGC, & ! pointer to RGC numerics data
@ -98,15 +98,15 @@ module subroutine RGC_init()
print'( 1x,a)', 'https://doi.org/10.1088/0965-0393/18/1/015006'//IO_EOL print'( 1x,a)', 'https://doi.org/10.1088/0965-0393/18/1/015006'//IO_EOL
material_homogenization => config_material%get('homogenization') material_homogenization => config_material%get_dict('homogenization')
allocate(param(material_homogenization%length)) allocate(param(material_homogenization%length))
allocate(state(material_homogenization%length)) allocate(state(material_homogenization%length))
allocate(state0(material_homogenization%length)) allocate(state0(material_homogenization%length))
allocate(dependentState(material_homogenization%length)) allocate(dependentState(material_homogenization%length))
num_homogenization => config_numerics%get('homogenization',defaultVal=emptyDict) num_homogenization => config_numerics%get_dict('homogenization',defaultVal=emptyDict)
num_mechanical => num_homogenization%get('mechanical',defaultVal=emptyDict) num_mechanical => num_homogenization%get_dict('mechanical',defaultVal=emptyDict)
num_RGC => num_mechanical%get('RGC',defaultVal=emptyDict) num_RGC => num_mechanical%get_dict('RGC',defaultVal=emptyDict)
num%atol = num_RGC%get_asFloat('atol', defaultVal=1.0e+4_pReal) num%atol = num_RGC%get_asFloat('atol', defaultVal=1.0e+4_pReal)
num%rtol = num_RGC%get_asFloat('rtol', defaultVal=1.0e-3_pReal) num%rtol = num_RGC%get_asFloat('rtol', defaultVal=1.0e-3_pReal)
@ -139,8 +139,8 @@ module subroutine RGC_init()
do ho = 1, size(mechanical_type) do ho = 1, size(mechanical_type)
if (mechanical_type(ho) /= MECHANICAL_RGC_ID) cycle if (mechanical_type(ho) /= MECHANICAL_RGC_ID) cycle
homog => material_homogenization%get(ho) homog => material_homogenization%get_dict(ho)
homogMech => homog%get('mechanical') homogMech => homog%get_dict('mechanical')
associate(prm => param(ho), & associate(prm => param(ho), &
stt => state(ho), & stt => state(ho), &
st0 => state0(ho), & st0 => state0(ho), &

View File

@ -35,7 +35,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine thermal_init() module subroutine thermal_init()
class(tNode), pointer :: & type(tDict), pointer :: &
configHomogenizations, & configHomogenizations, &
configHomogenization, & configHomogenization, &
configHomogenizationThermal configHomogenizationThermal
@ -45,18 +45,18 @@ module subroutine thermal_init()
print'(/,1x,a)', '<<<+- homogenization:thermal init -+>>>' print'(/,1x,a)', '<<<+- homogenization:thermal init -+>>>'
configHomogenizations => config_material%get('homogenization') configHomogenizations => config_material%get_dict('homogenization')
allocate(param(configHomogenizations%length)) allocate(param(configHomogenizations%length))
allocate(current(configHomogenizations%length)) allocate(current(configHomogenizations%length))
do ho = 1, configHomogenizations%length do ho = 1, configHomogenizations%length
allocate(current(ho)%T(count(material_homogenizationID==ho)), source=T_ROOM) allocate(current(ho)%T(count(material_homogenizationID==ho)), source=T_ROOM)
allocate(current(ho)%dot_T(count(material_homogenizationID==ho)), source=0.0_pReal) allocate(current(ho)%dot_T(count(material_homogenizationID==ho)), source=0.0_pReal)
configHomogenization => configHomogenizations%get(ho) configHomogenization => configHomogenizations%get_dict(ho)
associate(prm => param(ho)) associate(prm => param(ho))
if (configHomogenization%contains('thermal')) then if (configHomogenization%contains('thermal')) then
configHomogenizationThermal => configHomogenization%get('thermal') configHomogenizationThermal => configHomogenization%get_dict('thermal')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_as1dString(configHomogenizationThermal) prm%output = output_as1dString(configHomogenizationThermal)
#else #else

View File

@ -83,12 +83,12 @@ end subroutine material_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine parse() subroutine parse()
class(tNode), pointer :: materials, & !> list of materials type(tList), pointer :: materials, & !> all materials
constituents !> all constituents of a material
type(tDict), pointer :: phases, & !> all phases
homogenizations, & !> all homogenizations
material, & !> material definition material, & !> material definition
constituents, & !> list of constituents
constituent, & !> constituent definition constituent, & !> constituent definition
phases, &
homogenizations, &
homogenization homogenization
class(tItem), pointer :: item class(tItem), pointer :: item
@ -107,25 +107,20 @@ subroutine parse()
ma ma
materials => config_material%get('material') materials => config_material%get_list('material')
phases => config_material%get('phase') phases => config_material%get_dict('phase')
homogenizations => config_material%get('homogenization') homogenizations => config_material%get_dict('homogenization')
if (maxval(discretization_materialAt) > materials%length) & if (maxval(discretization_materialAt) > materials%length) &
call IO_error(155,ext_msg='More materials requested than found in material.yaml') call IO_error(155,ext_msg='More materials requested than found in material.yaml')
#if defined (__GFORTRAN__) material_name_phase = phases%keys()
material_name_phase = getKeys(phases) material_name_homogenization = homogenizations%keys()
material_name_homogenization = getKeys(homogenizations)
#else
material_name_phase = phases%Keys()
material_name_homogenization = homogenizations%Keys()
#endif
allocate(homogenization_Nconstituents(homogenizations%length)) allocate(homogenization_Nconstituents(homogenizations%length))
do ho=1, homogenizations%length do ho=1, homogenizations%length
homogenization => homogenizations%get(ho) homogenization => homogenizations%get_dict(ho)
homogenization_Nconstituents(ho) = homogenization%get_asInt('N_constituents') homogenization_Nconstituents(ho) = homogenization%get_asInt('N_constituents')
end do end do
homogenization_maxNconstituents = maxval(homogenization_Nconstituents) homogenization_maxNconstituents = maxval(homogenization_Nconstituents)
@ -140,26 +135,22 @@ subroutine parse()
allocate( v_of(materials%length,homogenization_maxNconstituents),source=0.0_pReal) allocate( v_of(materials%length,homogenization_maxNconstituents),source=0.0_pReal)
! parse YAML structure ! parse YAML structure
select type(materials)
class is(tList)
item => materials%first item => materials%first
do ma = 1, materials%length do ma = 1, materials%length
material => item%node material => item%node%asDict()
ho_of(ma) = homogenizations%getIndex(material%get_asString('homogenization')) ho_of(ma) = homogenizations%index(material%get_asString('homogenization'))
constituents => material%get('constituents') constituents => material%get_list('constituents')
homogenization => homogenizations%get(ho_of(ma)) homogenization => homogenizations%get_dict(ho_of(ma))
if (constituents%length /= homogenization%get_asInt('N_constituents')) call IO_error(148) if (constituents%length /= homogenization%get_asInt('N_constituents')) call IO_error(148)
allocate(material_O_0(ma)%data(constituents%length)) allocate(material_O_0(ma)%data(constituents%length))
allocate(material_V_e_0(ma)%data(1:3,1:3,constituents%length)) allocate(material_V_e_0(ma)%data(1:3,1:3,constituents%length))
do co = 1, constituents%length do co = 1, constituents%length
constituent => constituents%get(co) constituent => constituents%get_dict(co)
v_of(ma,co) = constituent%get_asFloat('v') v_of(ma,co) = constituent%get_asFloat('v')
ph_of(ma,co) = phases%getIndex(constituent%get_asString('phase')) ph_of(ma,co) = phases%index(constituent%get_asString('phase'))
call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4)) call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4))
material_V_e_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('V_e',defaultVal=math_I3,requiredShape=[3,3]) material_V_e_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('V_e',defaultVal=math_I3,requiredShape=[3,3])
@ -172,9 +163,6 @@ subroutine parse()
item => item%next item => item%next
end do end do
end select
allocate(counterPhase(phases%length),source=0) allocate(counterPhase(phases%length),source=0)
allocate(counterHomogenization(homogenizations%length),source=0) allocate(counterHomogenization(homogenizations%length),source=0)
@ -223,7 +211,7 @@ end subroutine parse
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function getKeys(dict) function getKeys(dict)
class(tNode), intent(in) :: dict type(tDict), intent(in) :: dict
character(len=:), dimension(:), allocatable :: getKeys character(len=:), dimension(:), allocatable :: getKeys
character(len=pStringLen), dimension(:), allocatable :: temp character(len=pStringLen), dimension(:), allocatable :: temp
@ -232,7 +220,7 @@ function getKeys(dict)
allocate(temp(dict%length)) allocate(temp(dict%length))
l = 0 l = 0
do i=1, dict%length do i=1, dict%length
temp(i) = dict%getKey(i) temp(i) = dict%key(i)
l = max(len_trim(temp(i)),l) l = max(len_trim(temp(i)),l)
end do end do

View File

@ -87,13 +87,13 @@ subroutine math_init()
real(pReal), dimension(4) :: randTest real(pReal), dimension(4) :: randTest
integer :: randSize integer :: randSize
integer, dimension(:), allocatable :: seed integer, dimension(:), allocatable :: seed
class(tNode), pointer :: & type(tDict), pointer :: &
num_generic num_generic
print'(/,1x,a)', '<<<+- math init -+>>>'; flush(IO_STDOUT) print'(/,1x,a)', '<<<+- math init -+>>>'; flush(IO_STDOUT)
num_generic => config_numerics%get('generic',defaultVal=emptyDict) num_generic => config_numerics%get_dict('generic',defaultVal=emptyDict)
call random_seed(size=randSize) call random_seed(size=randSize)
allocate(seed(randSize)) allocate(seed(randSize))

View File

@ -65,7 +65,7 @@ program DAMASK_mesh
statUnit = 0, & !< file unit for statistics output statUnit = 0, & !< file unit for statistics output
stagIter, & stagIter, &
component component
class(tNode), pointer :: & type(tDict), pointer :: &
num_mesh num_mesh
character(len=pStringLen), dimension(:), allocatable :: fileContent character(len=pStringLen), dimension(:), allocatable :: fileContent
character(len=pStringLen) :: & character(len=pStringLen) :: &
@ -90,7 +90,7 @@ program DAMASK_mesh
!--------------------------------------------------------------------- !---------------------------------------------------------------------
! reading field information from numerics file and do sanity checks ! reading field information from numerics file and do sanity checks
num_mesh => config_numerics%get('mesh', defaultVal=emptyDict) num_mesh => config_numerics%get_dict('mesh', defaultVal=emptyDict)
stagItMax = num_mesh%get_asInt('maxStaggeredIter',defaultVal=10) stagItMax = num_mesh%get_asInt('maxStaggeredIter',defaultVal=10)
maxCutBack = num_mesh%get_asInt('maxCutBack',defaultVal=3) maxCutBack = num_mesh%get_asInt('maxCutBack',defaultVal=3)

View File

@ -93,7 +93,7 @@ contains
subroutine FEM_utilities_init subroutine FEM_utilities_init
character(len=pStringLen) :: petsc_optionsOrder character(len=pStringLen) :: petsc_optionsOrder
class(tNode), pointer :: & type(tDict), pointer :: &
num_mesh, & num_mesh, &
debug_mesh ! pointer to mesh debug options debug_mesh ! pointer to mesh debug options
integer :: & integer :: &
@ -107,7 +107,7 @@ subroutine FEM_utilities_init
print'(/,1x,a)', '<<<+- FEM_utilities init -+>>>' print'(/,1x,a)', '<<<+- FEM_utilities init -+>>>'
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict) num_mesh => config_numerics%get_dict('mesh',defaultVal=emptyDict)
p_s = num_mesh%get_asInt('p_s',defaultVal = 2) p_s = num_mesh%get_asInt('p_s',defaultVal = 2)
p_i = num_mesh%get_asInt('p_i',defaultVal = p_s) p_i = num_mesh%get_asInt('p_i',defaultVal = p_s)
@ -117,7 +117,7 @@ subroutine FEM_utilities_init
if (p_i < max(1,p_s-1) .or. p_i > p_s) & if (p_i < max(1,p_s-1) .or. p_i > p_s) &
call IO_error(821,ext_msg='integration order (p_i) out of bounds') call IO_error(821,ext_msg='integration order (p_i) out of bounds')
debug_mesh => config_debug%get('mesh',defaultVal=emptyList) debug_mesh => config_debug%get_dict('mesh',defaultVal=emptyDict)
debugPETSc = debug_mesh%contains('PETSc') debugPETSc = debug_mesh%contains('PETSc')
if(debugPETSc) print'(3(/,1x,a),/)', & if(debugPETSc) print'(3(/,1x,a),/)', &

View File

@ -90,7 +90,7 @@ subroutine discretization_mesh_init(restart)
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI
PetscInt, dimension(:), allocatable :: & PetscInt, dimension(:), allocatable :: &
materialAt materialAt
class(tNode), pointer :: & type(tDict), pointer :: &
num_mesh num_mesh
integer :: p_i, dim !< integration order (quadrature rule) integer :: p_i, dim !< integration order (quadrature rule)
type(tvec) :: coords_node0 type(tvec) :: coords_node0
@ -101,7 +101,7 @@ subroutine discretization_mesh_init(restart)
!-------------------------------------------------------------------------------- !--------------------------------------------------------------------------------
! read numerics parameter ! read numerics parameter
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict) num_mesh => config_numerics%get_dict('mesh',defaultVal=emptyDict)
p_i = num_mesh%get_asInt('p_i',defaultVal = 2) p_i = num_mesh%get_asInt('p_i',defaultVal = 2)
!--------------------------------------------------------------------------------- !---------------------------------------------------------------------------------

View File

@ -126,14 +126,14 @@ subroutine FEM_mechanical_init(fieldBC)
character(len=*), parameter :: prefix = 'mechFE_' character(len=*), parameter :: prefix = 'mechFE_'
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
real(pReal), dimension(3,3) :: devNull real(pReal), dimension(3,3) :: devNull
class(tNode), pointer :: & type(tDict), pointer :: &
num_mesh num_mesh
print'(/,1x,a)', '<<<+- FEM_mech init -+>>>'; flush(IO_STDOUT) print'(/,1x,a)', '<<<+- FEM_mech init -+>>>'; flush(IO_STDOUT)
!----------------------------------------------------------------------------- !-----------------------------------------------------------------------------
! read numerical parametes and do sanity checks ! read numerical parametes and do sanity checks
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict) num_mesh => config_numerics%get_dict('mesh',defaultVal=emptyDict)
num%p_i = int(num_mesh%get_asInt('p_i',defaultVal = 2),pPETSCINT) num%p_i = int(num_mesh%get_asInt('p_i',defaultVal = 2),pPETSCINT)
num%itmax = int(num_mesh%get_asInt('itmax',defaultVal=250),pPETSCINT) num%itmax = int(num_mesh%get_asInt('itmax',defaultVal=250),pPETSCINT)
num%BBarStabilisation = num_mesh%get_asBool('bbarstabilisation',defaultVal = .false.) num%BBarStabilisation = num_mesh%get_asBool('bbarstabilisation',defaultVal = .false.)

View File

@ -96,14 +96,14 @@ module phase
! == cleaned:begin ================================================================================= ! == cleaned:begin =================================================================================
module subroutine mechanical_init(phases) module subroutine mechanical_init(phases)
class(tNode), pointer :: phases type(tDict), pointer :: phases
end subroutine mechanical_init end subroutine mechanical_init
module subroutine damage_init module subroutine damage_init
end subroutine damage_init end subroutine damage_init
module subroutine thermal_init(phases) module subroutine thermal_init(phases)
class(tNode), pointer :: phases type(tDict), pointer :: phases
end subroutine thermal_init end subroutine thermal_init
@ -376,16 +376,16 @@ subroutine phase_init
integer :: & integer :: &
ph, ce, co, ma ph, ce, co, ma
class (tNode), pointer :: & type(tDict), pointer :: &
debug_constitutive, &
materials, &
phases, & phases, &
phase phase
type(tList), pointer :: &
debug_constitutive
print'(/,1x,a)', '<<<+- phase init -+>>>'; flush(IO_STDOUT) print'(/,1x,a)', '<<<+- phase init -+>>>'; flush(IO_STDOUT)
debug_constitutive => config_debug%get('phase', defaultVal=emptyList) debug_constitutive => config_debug%get_list('phase', defaultVal=emptyList)
debugConstitutive%basic = debug_constitutive%contains('basic') debugConstitutive%basic = debug_constitutive%contains('basic')
debugConstitutive%extensive = debug_constitutive%contains('extensive') debugConstitutive%extensive = debug_constitutive%contains('extensive')
debugConstitutive%selective = debug_constitutive%contains('selective') debugConstitutive%selective = debug_constitutive%contains('selective')
@ -394,8 +394,7 @@ subroutine phase_init
debugConstitutive%grain = config_debug%get_asInt('constituent', defaultVal = 1) debugConstitutive%grain = config_debug%get_asInt('constituent', defaultVal = 1)
materials => config_material%get('material') phases => config_material%get_dict('phase')
phases => config_material%get('phase')
allocate(phase_lattice(phases%length)) allocate(phase_lattice(phases%length))
allocate(phase_cOverA(phases%length),source=-1.0_pReal) allocate(phase_cOverA(phases%length),source=-1.0_pReal)
@ -403,7 +402,7 @@ subroutine phase_init
allocate(phase_O_0(phases%length)) allocate(phase_O_0(phases%length))
do ph = 1,phases%length do ph = 1,phases%length
phase => phases%get(ph) phase => phases%get_dict(ph)
phase_lattice(ph) = phase%get_asString('lattice') phase_lattice(ph) = phase%get_asString('lattice')
if (all(phase_lattice(ph) /= ['cF','cI','hP','tI'])) & if (all(phase_lattice(ph) /= ['cF','cI','hP','tI'])) &
call IO_error(130,ext_msg='phase_init: '//phase%get_asString('lattice')) call IO_error(130,ext_msg='phase_init: '//phase%get_asString('lattice'))
@ -536,13 +535,13 @@ subroutine crystallite_init()
ip, & !< counter in integration point loop ip, & !< counter in integration point loop
el, & !< counter in element loop el, & !< counter in element loop
en, ph en, ph
class(tNode), pointer :: & type(tDict), pointer :: &
num_crystallite, & num_crystallite, &
phases phases
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
num_crystallite => config_numerics%get('crystallite',defaultVal=emptyDict) num_crystallite => config_numerics%get_dict('crystallite',defaultVal=emptyDict)
num%subStepMinCryst = num_crystallite%get_asFloat ('subStepMin', defaultVal=1.0e-3_pReal) num%subStepMinCryst = num_crystallite%get_asFloat ('subStepMin', defaultVal=1.0e-3_pReal)
num%subStepSizeCryst = num_crystallite%get_asFloat ('subStepSize', defaultVal=0.25_pReal) num%subStepSizeCryst = num_crystallite%get_asFloat ('subStepSize', defaultVal=0.25_pReal)
@ -570,7 +569,7 @@ subroutine crystallite_init()
if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg)) if (extmsg /= '') call IO_error(301,ext_msg=trim(extmsg))
phases => config_material%get('phase') phases => config_material%get_dict('phase')
!$OMP PARALLEL DO PRIVATE(ce,ph,en) !$OMP PARALLEL DO PRIVATE(ce,ph,en)
do el = 1, discretization_Nelems do el = 1, discretization_Nelems

View File

@ -77,16 +77,17 @@ module subroutine damage_init
integer :: & integer :: &
ph, & ph, &
Nmembers Nmembers
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
sources, &
source source
type(tList), pointer :: &
sources
logical:: damage_active logical:: damage_active
print'(/,1x,a)', '<<<+- phase:damage init -+>>>' print'(/,1x,a)', '<<<+- phase:damage init -+>>>'
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(current(phases%length)) allocate(current(phases%length))
allocate(damageState(phases%length)) allocate(damageState(phases%length))
@ -99,12 +100,12 @@ module subroutine damage_init
allocate(current(ph)%phi(Nmembers),source=1.0_pReal) allocate(current(ph)%phi(Nmembers),source=1.0_pReal)
phase => phases%get(ph) phase => phases%get_dict(ph)
sources => phase%get('damage',defaultVal=emptyList) sources => phase%get_list('damage',defaultVal=emptyList)
if (sources%length > 1) error stop if (sources%length > 1) error stop
if (sources%length == 1) then if (sources%length == 1) then
damage_active = .true. damage_active = .true.
source => sources%get(1) source => sources%get_dict(1)
param(ph)%mu = source%get_asFloat('mu') param(ph)%mu = source%get_asFloat('mu')
param(ph)%l_c = source%get_asFloat('l_c') param(ph)%l_c = source%get_asFloat('l_c')
end if end if
@ -440,19 +441,20 @@ function source_active(source_label) result(active_source)
character(len=*), intent(in) :: source_label !< name of source mechanism character(len=*), intent(in) :: source_label !< name of source mechanism
logical, dimension(:), allocatable :: active_source logical, dimension(:), allocatable :: active_source
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
sources, &
src src
type(tList), pointer :: &
sources
integer :: ph integer :: ph
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(active_source(phases%length)) allocate(active_source(phases%length))
do ph = 1, phases%length do ph = 1, phases%length
phase => phases%get(ph) phase => phases%get_dict(ph)
sources => phase%get('damage',defaultVal=emptyList) sources => phase%get_list('damage',defaultVal=emptyList)
src => sources%get(1) src => sources%get_dict(1)
active_source(ph) = src%get_asString('type',defaultVal = 'x') == source_label active_source(ph) = src%get_asString('type',defaultVal = 'x') == source_label
end do end do

View File

@ -35,11 +35,12 @@ module function anisobrittle_init() result(mySources)
logical, dimension(:), allocatable :: mySources logical, dimension(:), allocatable :: mySources
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
sources, &
src src
type(tList), pointer :: &
sources
integer :: Nmembers,ph integer :: Nmembers,ph
integer, dimension(:), allocatable :: N_cl integer, dimension(:), allocatable :: N_cl
character(len=pStringLen) :: extmsg = '' character(len=pStringLen) :: extmsg = ''
@ -52,17 +53,17 @@ module function anisobrittle_init() result(mySources)
print'(/,a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT) print'(/,a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(param(phases%length)) allocate(param(phases%length))
do ph = 1, phases%length do ph = 1, phases%length
if (mySources(ph)) then if (mySources(ph)) then
phase => phases%get(ph) phase => phases%get_dict(ph)
sources => phase%get('damage') sources => phase%get_list('damage')
associate(prm => param(ph)) associate(prm => param(ph))
src => sources%get(1) src => sources%get_dict(1)
N_cl = src%get_as1dInt('N_cl',defaultVal=emptyIntArray) N_cl = src%get_as1dInt('N_cl',defaultVal=emptyIntArray)
prm%sum_N_cl = sum(abs(N_cl)) prm%sum_N_cl = sum(abs(N_cl))

View File

@ -34,11 +34,12 @@ module function isobrittle_init() result(mySources)
logical, dimension(:), allocatable :: mySources logical, dimension(:), allocatable :: mySources
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
sources, &
src src
type(tList), pointer :: &
sources
integer :: Nmembers,ph integer :: Nmembers,ph
character(len=pStringLen) :: extmsg = '' character(len=pStringLen) :: extmsg = ''
@ -50,18 +51,18 @@ module function isobrittle_init() result(mySources)
print'(/,a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT) print'(/,a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(param(phases%length)) allocate(param(phases%length))
allocate(state(phases%length)) allocate(state(phases%length))
allocate(deltaState(phases%length)) allocate(deltaState(phases%length))
do ph = 1, phases%length do ph = 1, phases%length
if (mySources(ph)) then if (mySources(ph)) then
phase => phases%get(ph) phase => phases%get_dict(ph)
sources => phase%get('damage') sources => phase%get_list('damage')
associate(prm => param(ph), dlt => deltaState(ph), stt => state(ph)) associate(prm => param(ph), dlt => deltaState(ph), stt => state(ph))
src => sources%get(1) src => sources%get_dict(1)
prm%W_crit = src%get_asFloat('G_crit')/src%get_asFloat('l_c') prm%W_crit = src%get_asFloat('G_crit')/src%get_asFloat('l_c')

View File

@ -43,11 +43,11 @@ submodule(phase) mechanical
interface interface
module subroutine eigen_init(phases) module subroutine eigen_init(phases)
class(tNode), pointer :: phases type(tDict), pointer :: phases
end subroutine eigen_init end subroutine eigen_init
module subroutine elastic_init(phases) module subroutine elastic_init(phases)
class(tNode), pointer :: phases type(tDict), pointer :: phases
end subroutine elastic_init end subroutine elastic_init
module subroutine plastic_init module subroutine plastic_init
@ -198,7 +198,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine mechanical_init(phases) module subroutine mechanical_init(phases)
class(tNode), pointer :: & type(tDict), pointer :: &
phases phases
integer :: & integer :: &
@ -208,7 +208,7 @@ module subroutine mechanical_init(phases)
ph, & ph, &
en, & en, &
Nmembers Nmembers
class(tNode), pointer :: & type(tDict), pointer :: &
num_crystallite, & num_crystallite, &
phase, & phase, &
mech mech
@ -248,8 +248,8 @@ module subroutine mechanical_init(phases)
allocate(phase_mechanical_P(ph)%data(3,3,Nmembers),source=0.0_pReal) allocate(phase_mechanical_P(ph)%data(3,3,Nmembers),source=0.0_pReal)
allocate(phase_mechanical_S0(ph)%data(3,3,Nmembers),source=0.0_pReal) allocate(phase_mechanical_S0(ph)%data(3,3,Nmembers),source=0.0_pReal)
phase => phases%get(ph) phase => phases%get_dict(ph)
mech => phase%get('mechanical') mech => phase%get_dict('mechanical')
#if defined(__GFORTRAN__) #if defined(__GFORTRAN__)
output_mechanical(ph)%label = output_as1dString(mech) output_mechanical(ph)%label = output_as1dString(mech)
#else #else
@ -286,7 +286,7 @@ module subroutine mechanical_init(phases)
plasticState(ph)%state0 = plasticState(ph)%state plasticState(ph)%state0 = plasticState(ph)%state
end do end do
num_crystallite => config_numerics%get('crystallite',defaultVal=emptyDict) num_crystallite => config_numerics%get_dict('crystallite',defaultVal=emptyDict)
select case(num_crystallite%get_asString('integrator',defaultVal='FPI')) select case(num_crystallite%get_asString('integrator',defaultVal='FPI'))

View File

@ -34,15 +34,16 @@ contains
module subroutine eigen_init(phases) module subroutine eigen_init(phases)
class(tNode), pointer :: & type(tDict), pointer :: &
phases phases
integer :: & integer :: &
ph ph
class(tNode), pointer :: & type(tDict), pointer :: &
phase, & phase, &
kinematics, &
mechanics mechanics
type(tList), pointer :: &
kinematics
print'(/,1x,a)', '<<<+- phase:mechanical:eigen init -+>>>' print'(/,1x,a)', '<<<+- phase:mechanical:eigen init -+>>>'
@ -51,9 +52,9 @@ module subroutine eigen_init(phases)
allocate(Nmodels(phases%length),source = 0) allocate(Nmodels(phases%length),source = 0)
do ph = 1,phases%length do ph = 1,phases%length
phase => phases%get(ph) phase => phases%get_dict(ph)
mechanics => phase%get('mechanical') mechanics => phase%get_dict('mechanical')
kinematics => mechanics%get('eigen',defaultVal=emptyList) kinematics => mechanics%get_list('eigen',defaultVal=emptyList)
Nmodels(ph) = kinematics%length Nmodels(ph) = kinematics%length
end do end do
@ -80,27 +81,28 @@ function kinematics_active(kinematics_label,kinematics_length) result(active_ki
integer, intent(in) :: kinematics_length !< max. number of kinematics in system integer, intent(in) :: kinematics_length !< max. number of kinematics in system
logical, dimension(:,:), allocatable :: active_kinematics logical, dimension(:,:), allocatable :: active_kinematics
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
kinematics, & mechanics, &
kinematics_type, & kinematic
mechanics type(tList), pointer :: &
kinematics
integer :: ph,k integer :: ph,k
phases => config_material%get('phase')
phases => config_material%get_dict('phase')
allocate(active_kinematics(kinematics_length,phases%length), source = .false. ) allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
do ph = 1, phases%length do ph = 1, phases%length
phase => phases%get(ph) phase => phases%get_dict(ph)
mechanics => phase%get('mechanical') mechanics => phase%get_dict('mechanical')
kinematics => mechanics%get('eigen',defaultVal=emptyList) kinematics => mechanics%get_list('eigen',defaultVal=emptyList)
do k = 1, kinematics%length do k = 1, kinematics%length
kinematics_type => kinematics%get(k) kinematic => kinematics%get_dict(k)
active_kinematics(k,ph) = kinematics_type%get_asString('type') == kinematics_label active_kinematics(k,ph) = kinematic%get_asString('type') == kinematics_label
end do end do
end do end do
end function kinematics_active end function kinematics_active
@ -113,20 +115,21 @@ function kinematics_active2(kinematics_label) result(active_kinematics)
character(len=*), intent(in) :: kinematics_label !< name of kinematic mechanism character(len=*), intent(in) :: kinematics_label !< name of kinematic mechanism
logical, dimension(:), allocatable :: active_kinematics logical, dimension(:), allocatable :: active_kinematics
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
kinematics, &
kinematics_type kinematics_type
type(tList), pointer :: &
kinematics
integer :: ph integer :: ph
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(active_kinematics(phases%length), source = .false.) allocate(active_kinematics(phases%length), source = .false.)
do ph = 1, phases%length do ph = 1, phases%length
phase => phases%get(ph) phase => phases%get_dict(ph)
kinematics => phase%get('damage',defaultVal=emptyList) kinematics => phase%get_list('damage',defaultVal=emptyList)
if (kinematics%length < 1) return if (kinematics%length < 1) return
kinematics_type => kinematics%get(1) kinematics_type => kinematics%get_dict(1)
if (.not. kinematics_type%contains('type')) continue if (.not. kinematics_type%contains('type')) continue
active_kinematics(ph) = kinematics_type%get_asString('type',defaultVal='n/a') == kinematics_label active_kinematics(ph) = kinematics_type%get_asString('type',defaultVal='n/a') == kinematics_label
end do end do

View File

@ -28,12 +28,13 @@ module function thermalexpansion_init(kinematics_length) result(myKinematics)
logical, dimension(:,:), allocatable :: myKinematics logical, dimension(:,:), allocatable :: myKinematics
integer :: Ninstances, p, k integer :: Ninstances, p, k
class(tNode), pointer :: & type(tList), pointer :: &
kinematics
type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
mech, & mech
kinematics, &
myConfig
print'(/,1x,a)', '<<<+- phase:mechanical:eigen:thermalexpansion init -+>>>' print'(/,1x,a)', '<<<+- phase:mechanical:eigen:thermalexpansion init -+>>>'
@ -42,26 +43,23 @@ module function thermalexpansion_init(kinematics_length) result(myKinematics)
print'(/,a,i2)', ' # phases: ',Ninstances; flush(IO_STDOUT) print'(/,a,i2)', ' # phases: ',Ninstances; flush(IO_STDOUT)
if (Ninstances == 0) return if (Ninstances == 0) return
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(param(Ninstances)) allocate(param(Ninstances))
allocate(kinematics_thermal_expansion_instance(phases%length), source=0) allocate(kinematics_thermal_expansion_instance(phases%length), source=0)
do p = 1, phases%length do p = 1, phases%length
if (any(myKinematics(:,p))) kinematics_thermal_expansion_instance(p) = count(myKinematics(:,1:p)) if (any(myKinematics(:,p))) kinematics_thermal_expansion_instance(p) = count(myKinematics(:,1:p))
phase => phases%get(p) phase => phases%get_dict(p)
if (count(myKinematics(:,p)) == 0) cycle if (count(myKinematics(:,p)) == 0) cycle
mech => phase%get('mechanical') mech => phase%get_dict('mechanical')
kinematics => mech%get('eigen') kinematics => mech%get_list('eigen')
do k = 1, kinematics%length do k = 1, kinematics%length
if (myKinematics(k,p)) then if (myKinematics(k,p)) then
associate(prm => param(kinematics_thermal_expansion_instance(p))) associate(prm => param(kinematics_thermal_expansion_instance(p)))
myConfig => kinematics%get(k) prm%A_11 = polynomial(kinematics%get_dict(k),'A_11','T')
prm%A_11 = polynomial(myConfig%asDict(),'A_11','T')
if (any(phase_lattice(p) == ['hP','tI'])) & if (any(phase_lattice(p) == ['hP','tI'])) &
prm%A_33 = polynomial(myConfig%asDict(),'A_33','T') prm%A_33 = polynomial(kinematics%get_dict(k),'A_33','T')
end associate end associate
end if end if
end do end do

View File

@ -19,12 +19,12 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine elastic_init(phases) module subroutine elastic_init(phases)
class(tNode), pointer :: & type(tDict), pointer :: &
phases phases
integer :: & integer :: &
ph ph
class(tNode), pointer :: & type(tDict), pointer :: &
phase, & phase, &
mech, & mech, &
elastic elastic
@ -38,9 +38,9 @@ module subroutine elastic_init(phases)
allocate(param(phases%length)) allocate(param(phases%length))
do ph = 1, phases%length do ph = 1, phases%length
phase => phases%get(ph) phase => phases%get_dict(ph)
mech => phase%get('mechanical') mech => phase%get_dict('mechanical')
elastic => mech%get('elastic') elastic => mech%get_dict('elastic')
if (elastic%get_asString('type') /= 'Hooke') call IO_error(200,ext_msg=elastic%get_asString('type')) if (elastic%get_asString('type') /= 'Hooke') call IO_error(200,ext_msg=elastic%get_asString('type'))
associate(prm => param(ph)) associate(prm => param(ph))

View File

@ -421,19 +421,19 @@ function plastic_active(plastic_label) result(active_plastic)
character(len=*), intent(in) :: plastic_label !< type of plasticity model character(len=*), intent(in) :: plastic_label !< type of plasticity model
logical, dimension(:), allocatable :: active_plastic logical, dimension(:), allocatable :: active_plastic
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
mech, & mech, &
pl pl
integer :: ph integer :: ph
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(active_plastic(phases%length), source = .false. ) allocate(active_plastic(phases%length), source = .false. )
do ph = 1, phases%length do ph = 1, phases%length
phase => phases%get(ph) phase => phases%get_dict(ph)
mech => phase%get('mechanical') mech => phase%get_dict('mechanical')
pl => mech%get('plastic',defaultVal = emptyDict) pl => mech%get_dict('plastic',defaultVal = emptyDict)
active_plastic(ph) = pl%get_asString('type',defaultVal='none') == plastic_label active_plastic(ph) = pl%get_asString('type',defaultVal='none') == plastic_label
end do end do

View File

@ -93,7 +93,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
a !< non-Schmid coefficients a !< non-Schmid coefficients
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
mech, & mech, &
@ -109,7 +109,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
print'(/,1x,a)', 'D. Cereceda et al., International Journal of Plasticity 78:242256, 2016' print'(/,1x,a)', 'D. Cereceda et al., International Journal of Plasticity 78:242256, 2016'
print'( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2015.09.002' print'( 1x,a)', 'https://doi.org/10.1016/j.ijplas.2015.09.002'
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(param(phases%length)) allocate(param(phases%length))
allocate(indexDotState(phases%length)) allocate(indexDotState(phases%length))
allocate(state(phases%length)) allocate(state(phases%length))
@ -121,9 +121,9 @@ module function plastic_dislotungsten_init() result(myPlasticity)
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), & associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), &
idx_dot => indexDotState(ph)) idx_dot => indexDotState(ph))
phase => phases%get(ph) phase => phases%get_dict(ph)
mech => phase%get('mechanical') mech => phase%get_dict('mechanical')
pl => mech%get('plastic') pl => mech%get_dict('plastic')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_as1dString(pl) prm%output = output_as1dString(pl)

View File

@ -142,7 +142,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
rho_dip_0 !< initial dipole dislocation density per slip system rho_dip_0 !< initial dipole dislocation density per slip system
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
mech, & mech, &
@ -165,7 +165,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
print'( 1x,a)', 'https://doi.org/10.1016/j.actamat.2016.07.032' print'( 1x,a)', 'https://doi.org/10.1016/j.actamat.2016.07.032'
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(param(phases%length)) allocate(param(phases%length))
allocate(indexDotState(phases%length)) allocate(indexDotState(phases%length))
allocate(state(phases%length)) allocate(state(phases%length))
@ -177,9 +177,9 @@ module function plastic_dislotwin_init() result(myPlasticity)
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), & associate(prm => param(ph), stt => state(ph), dst => dependentState(ph), &
idx_dot => indexDotState(ph)) idx_dot => indexDotState(ph))
phase => phases%get(ph) phase => phases%get_dict(ph)
mech => phase%get('mechanical') mech => phase%get_dict('mechanical')
pl => mech%get('plastic') pl => mech%get_dict('plastic')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_as1dString(pl) prm%output = output_as1dString(pl)

View File

@ -56,7 +56,7 @@ module function plastic_isotropic_init() result(myPlasticity)
xi_0 !< initial critical stress xi_0 !< initial critical stress
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
mech, & mech, &
@ -72,7 +72,7 @@ module function plastic_isotropic_init() result(myPlasticity)
print'(/,1x,a)', 'T. Maiti and P. Eisenlohr, Scripta Materialia 145:3740, 2018' print'(/,1x,a)', 'T. Maiti and P. Eisenlohr, Scripta Materialia 145:3740, 2018'
print'( 1x,a)', 'https://doi.org/10.1016/j.scriptamat.2017.09.047' print'( 1x,a)', 'https://doi.org/10.1016/j.scriptamat.2017.09.047'
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(param(phases%length)) allocate(param(phases%length))
allocate(state(phases%length)) allocate(state(phases%length))
@ -81,9 +81,9 @@ module function plastic_isotropic_init() result(myPlasticity)
associate(prm => param(ph), stt => state(ph)) associate(prm => param(ph), stt => state(ph))
phase => phases%get(ph) phase => phases%get_dict(ph)
mech => phase%get('mechanical') mech => phase%get_dict('mechanical')
pl => mech%get('plastic') pl => mech%get_dict('plastic')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_as1dString(pl) prm%output = output_as1dString(pl)

View File

@ -79,7 +79,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
a !< non-Schmid coefficients a !< non-Schmid coefficients
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
mech, & mech, &
@ -94,7 +94,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
print'(/,1x,a)', 'J.A. Wollmershauser et al., International Journal of Fatigue 36:181193, 2012' print'(/,1x,a)', 'J.A. Wollmershauser et al., International Journal of Fatigue 36:181193, 2012'
print'( 1x,a)', 'https://doi.org/10.1016/j.ijfatigue.2011.07.008' print'( 1x,a)', 'https://doi.org/10.1016/j.ijfatigue.2011.07.008'
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(param(phases%length)) allocate(param(phases%length))
allocate(indexDotState(phases%length)) allocate(indexDotState(phases%length))
allocate(state(phases%length)) allocate(state(phases%length))
@ -107,9 +107,9 @@ module function plastic_kinehardening_init() result(myPlasticity)
associate(prm => param(ph), stt => state(ph), dlt => deltaState(ph), & associate(prm => param(ph), stt => state(ph), dlt => deltaState(ph), &
idx_dot => indexDotState(ph)) idx_dot => indexDotState(ph))
phase => phases%get(ph) phase => phases%get_dict(ph)
mech => phase%get('mechanical') mech => phase%get_dict('mechanical')
pl => mech%get('plastic') pl => mech%get_dict('plastic')
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
prm%output = output_as1dString(pl) prm%output = output_as1dString(pl)

View File

@ -17,7 +17,7 @@ module function plastic_none_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity logical, dimension(:), allocatable :: myPlasticity
integer :: & integer :: &
ph ph
class(tNode), pointer :: & type(tDict), pointer :: &
phases phases
@ -27,7 +27,7 @@ module function plastic_none_init() result(myPlasticity)
print'(/,1x,a)', '<<<+- phase:mechanical:plastic:none init -+>>>' print'(/,1x,a)', '<<<+- phase:mechanical:plastic:none init -+>>>'
print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT) print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
phases => config_material%get('phase') phases => config_material%get_dict('phase')
do ph = 1, phases%length do ph = 1, phases%length
if (.not. myPlasticity(ph)) cycle if (.not. myPlasticity(ph)) cycle
call phase_allocateState(plasticState(ph),count(material_phaseID == ph),0,0,0) call phase_allocateState(plasticState(ph),count(material_phaseID == ph),0,0,0)

View File

@ -190,7 +190,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
extmsg = '' extmsg = ''
type(tInitialParameters) :: & type(tInitialParameters) :: &
ini ini
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
mech, & mech, &
@ -213,7 +213,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
print'( 1x,a)', 'http://publications.rwth-aachen.de/record/229993' print'( 1x,a)', 'http://publications.rwth-aachen.de/record/229993'
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(geom(phases%length)) allocate(geom(phases%length))
@ -230,9 +230,9 @@ module function plastic_nonlocal_init() result(myPlasticity)
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), & associate(prm => param(ph), dot => dotState(ph), stt => state(ph), &
st0 => state0(ph), del => deltaState(ph), dst => dependentState(ph)) st0 => state0(ph), del => deltaState(ph), dst => dependentState(ph))
phase => phases%get(ph) phase => phases%get_dict(ph)
mech => phase%get('mechanical') mech => phase%get_dict('mechanical')
pl => mech%get('plastic') pl => mech%get_dict('plastic')
plasticState(ph)%nonlocal = pl%get_asBool('flux',defaultVal=.True.) plasticState(ph)%nonlocal = pl%get_asBool('flux',defaultVal=.True.)
#if defined (__GFORTRAN__) #if defined (__GFORTRAN__)
@ -520,7 +520,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
if(.not. myPlasticity(ph)) cycle if(.not. myPlasticity(ph)) cycle
phase => phases%get(ph) phase => phases%get_dict(ph)
Nmembers = count(material_phaseID == ph) Nmembers = count(material_phaseID == ph)
l = 0 l = 0
do t = 1,4 do t = 1,4

View File

@ -92,7 +92,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
a !< non-Schmid coefficients a !< non-Schmid coefficients
character(len=pStringLen) :: & character(len=pStringLen) :: &
extmsg = '' extmsg = ''
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
mech, & mech, &
@ -106,7 +106,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT) print'(/,a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(param(phases%length)) allocate(param(phases%length))
allocate(indexDotState(phases%length)) allocate(indexDotState(phases%length))
allocate(state(phases%length)) allocate(state(phases%length))
@ -117,9 +117,9 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
associate(prm => param(ph), stt => state(ph), & associate(prm => param(ph), stt => state(ph), &
idx_dot => indexDotState(ph)) idx_dot => indexDotState(ph))
phase => phases%get(ph) phase => phases%get_dict(ph)
mech => phase%get('mechanical') mech => phase%get_dict('mechanical')
pl => mech%get('plastic') pl => mech%get_dict('plastic')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! slip related parameters ! slip related parameters

View File

@ -76,11 +76,14 @@ contains
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
module subroutine thermal_init(phases) module subroutine thermal_init(phases)
class(tNode), pointer :: & type(tDict), pointer :: &
phases phases
class(tNode), pointer :: & type(tDict), pointer :: &
phase, thermal, sources phase, &
thermal
type(tList), pointer :: &
sources
integer :: & integer :: &
ph, so, & ph, so, &
@ -99,8 +102,8 @@ module subroutine thermal_init(phases)
Nmembers = count(material_phaseID == ph) Nmembers = count(material_phaseID == ph)
allocate(current(ph)%T(Nmembers),source=T_ROOM) allocate(current(ph)%T(Nmembers),source=T_ROOM)
allocate(current(ph)%dot_T(Nmembers),source=0.0_pReal) allocate(current(ph)%dot_T(Nmembers),source=0.0_pReal)
phase => phases%get(ph) phase => phases%get_dict(ph)
thermal => phase%get('thermal',defaultVal=emptyDict) thermal => phase%get_dict('thermal',defaultVal=emptyDict)
! ToDo: temperature dependency of K and C_p ! ToDo: temperature dependency of K and C_p
if (thermal%length > 0) then if (thermal%length > 0) then
@ -114,7 +117,7 @@ module subroutine thermal_init(phases)
#else #else
param(ph)%output = thermal%get_as1dString('output',defaultVal=emptyStringArray) param(ph)%output = thermal%get_as1dString('output',defaultVal=emptyStringArray)
#endif #endif
sources => thermal%get('source',defaultVal=emptyList) sources => thermal%get_list('source',defaultVal=emptyList)
thermal_Nsources(ph) = sources%length thermal_Nsources(ph) = sources%length
else else
thermal_Nsources(ph) = 0 thermal_Nsources(ph) = 0
@ -365,21 +368,23 @@ function thermal_active(source_label,src_length) result(active_source)
integer, intent(in) :: src_length !< max. number of sources in system integer, intent(in) :: src_length !< max. number of sources in system
logical, dimension(:,:), allocatable :: active_source logical, dimension(:,:), allocatable :: active_source
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
sources, thermal, & thermal, &
src src
type(tList), pointer :: &
sources
integer :: p,s integer :: p,s
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(active_source(src_length,phases%length), source = .false. ) allocate(active_source(src_length,phases%length), source = .false. )
do p = 1, phases%length do p = 1, phases%length
phase => phases%get(p) phase => phases%get_dict(p)
thermal => phase%get('thermal',defaultVal=emptyDict) thermal => phase%get_dict('thermal',defaultVal=emptyDict)
sources => thermal%get('source',defaultVal=emptyList) sources => thermal%get_list('source',defaultVal=emptyList)
do s = 1, sources%length do s = 1, sources%length
src => sources%get(s) src => sources%get_dict(s)
active_source(s,p) = src%get_asString('type') == source_label active_source(s,p) = src%get_asString('type') == source_label
end do end do
end do end do

View File

@ -26,11 +26,13 @@ module function dissipation_init(source_length) result(mySources)
integer, intent(in) :: source_length integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources logical, dimension(:,:), allocatable :: mySources
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
sources, thermal, & thermal, &
src src
class(tList), pointer :: &
sources
integer :: so,Nmembers,ph integer :: so,Nmembers,ph
@ -40,18 +42,18 @@ module function dissipation_init(source_length) result(mySources)
print'(/,a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT) print'(/,a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(param(phases%length)) allocate(param(phases%length))
do ph = 1, phases%length do ph = 1, phases%length
phase => phases%get(ph) phase => phases%get_dict(ph)
if (count(mySources(:,ph)) == 0) cycle !ToDo: error if > 1 if (count(mySources(:,ph)) == 0) cycle !ToDo: error if > 1
thermal => phase%get('thermal') thermal => phase%get_dict('thermal')
sources => thermal%get('source') sources => thermal%get_list('source')
do so = 1, sources%length do so = 1, sources%length
if (mySources(so,ph)) then if (mySources(so,ph)) then
associate(prm => param(ph)) associate(prm => param(ph))
src => sources%get(so) src => sources%get_dict(so)
prm%kappa = src%get_asFloat('kappa') prm%kappa = src%get_asFloat('kappa')
Nmembers = count(material_phaseID == ph) Nmembers = count(material_phaseID == ph)

View File

@ -33,11 +33,13 @@ module function externalheat_init(source_length) result(mySources)
integer, intent(in) :: source_length integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources logical, dimension(:,:), allocatable :: mySources
class(tNode), pointer :: & type(tDict), pointer :: &
phases, & phases, &
phase, & phase, &
sources, thermal, & thermal, &
src src
type(tList), pointer :: &
sources
integer :: so,Nmembers,ph integer :: so,Nmembers,ph
@ -47,20 +49,20 @@ module function externalheat_init(source_length) result(mySources)
print'(/,a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT) print'(/,a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase') phases => config_material%get_dict('phase')
allocate(param(phases%length)) allocate(param(phases%length))
allocate(source_thermal_externalheat_offset (phases%length), source=0) allocate(source_thermal_externalheat_offset (phases%length), source=0)
do ph = 1, phases%length do ph = 1, phases%length
phase => phases%get(ph) phase => phases%get_dict(ph)
if (count(mySources(:,ph)) == 0) cycle if (count(mySources(:,ph)) == 0) cycle
thermal => phase%get('thermal') thermal => phase%get_dict('thermal')
sources => thermal%get('source') sources => thermal%get_list('source')
do so = 1, sources%length do so = 1, sources%length
if (mySources(so,ph)) then if (mySources(so,ph)) then
source_thermal_externalheat_offset(ph) = so source_thermal_externalheat_offset(ph) = so
associate(prm => param(ph)) associate(prm => param(ph))
src => sources%get(so) src => sources%get_dict(so)
prm%t_n = src%get_as1dFloat('t_n') prm%t_n = src%get_as1dFloat('t_n')
prm%nIntervals = size(prm%t_n) - 1 prm%nIntervals = size(prm%t_n) - 1

View File

@ -126,7 +126,7 @@ subroutine selfTest()
real(pReal), dimension(5) :: coef real(pReal), dimension(5) :: coef
integer :: i integer :: i
real(pReal) :: x_ref, x, y real(pReal) :: x_ref, x, y
class(tNode), pointer :: dict type(tDict), pointer :: dict
character(len=pStringLen), dimension(size(coef)) :: coef_s character(len=pStringLen), dimension(size(coef)) :: coef_s
character(len=pStringLen) :: x_ref_s, x_s, YAML_s character(len=pStringLen) :: x_ref_s, x_s, YAML_s
@ -156,7 +156,7 @@ subroutine selfTest()
'C,T^3: '//trim(adjustl(coef_s(4)))//IO_EOL//& 'C,T^3: '//trim(adjustl(coef_s(4)))//IO_EOL//&
'C,T^4: '//trim(adjustl(coef_s(5)))//IO_EOL//& 'C,T^4: '//trim(adjustl(coef_s(5)))//IO_EOL//&
'T_ref: '//trim(adjustl(x_ref_s))//IO_EOL 'T_ref: '//trim(adjustl(x_ref_s))//IO_EOL
Dict => YAML_parse_str(trim(YAML_s)) dict => YAML_parse_str_asDict(trim(YAML_s))
p2 = polynomial(dict%asDict(),'C','T') p2 = polynomial(dict%asDict(),'C','T')
if (dNeq(p1%at(x),p2%at(x),1.0e-6_pReal)) error stop 'polynomials: init' if (dNeq(p1%at(x),p2%at(x),1.0e-6_pReal)) error stop 'polynomials: init'
y = coef(1)+coef(2)*(x-x_ref)+coef(3)*(x-x_ref)**2+coef(4)*(x-x_ref)**3+coef(5)*(x-x_ref)**4 y = coef(1)+coef(2)*(x-x_ref)+coef(3)*(x-x_ref)**2+coef(4)*(x-x_ref)**3+coef(5)*(x-x_ref)**4
@ -165,28 +165,28 @@ subroutine selfTest()
YAML_s = 'C: 0.0'//IO_EOL//& YAML_s = 'C: 0.0'//IO_EOL//&
'C,T: '//trim(adjustl(coef_s(2)))//IO_EOL//& 'C,T: '//trim(adjustl(coef_s(2)))//IO_EOL//&
'T_ref: '//trim(adjustl(x_ref_s))//IO_EOL 'T_ref: '//trim(adjustl(x_ref_s))//IO_EOL
Dict => YAML_parse_str(trim(YAML_s)) dict => YAML_parse_str_asDict(trim(YAML_s))
p1 = polynomial(dict%asDict(),'C','T') p1 = polynomial(dict%asDict(),'C','T')
if (dNeq(p1%at(x_ref+x),-p1%at(x_ref-x),1.0e-10_pReal)) error stop 'polynomials: eval(linear)' if (dNeq(p1%at(x_ref+x),-p1%at(x_ref-x),1.0e-10_pReal)) error stop 'polynomials: eval(linear)'
YAML_s = 'C: 0.0'//IO_EOL//& YAML_s = 'C: 0.0'//IO_EOL//&
'C,T^2: '//trim(adjustl(coef_s(3)))//IO_EOL//& 'C,T^2: '//trim(adjustl(coef_s(3)))//IO_EOL//&
'T_ref: '//trim(adjustl(x_ref_s))//IO_EOL 'T_ref: '//trim(adjustl(x_ref_s))//IO_EOL
Dict => YAML_parse_str(trim(YAML_s)) dict => YAML_parse_str_asDict(trim(YAML_s))
p1 = polynomial(dict%asDict(),'C','T') p1 = polynomial(dict%asDict(),'C','T')
if (dNeq(p1%at(x_ref+x),p1%at(x_ref-x),1e-10_pReal)) error stop 'polynomials: eval(quadratic)' if (dNeq(p1%at(x_ref+x),p1%at(x_ref-x),1e-10_pReal)) error stop 'polynomials: eval(quadratic)'
YAML_s = 'Y: '//trim(adjustl(coef_s(1)))//IO_EOL//& YAML_s = 'Y: '//trim(adjustl(coef_s(1)))//IO_EOL//&
'Y,X^3: '//trim(adjustl(coef_s(2)))//IO_EOL//& 'Y,X^3: '//trim(adjustl(coef_s(2)))//IO_EOL//&
'X_ref: '//trim(adjustl(x_ref_s))//IO_EOL 'X_ref: '//trim(adjustl(x_ref_s))//IO_EOL
Dict => YAML_parse_str(trim(YAML_s)) dict => YAML_parse_str_asDict(trim(YAML_s))
p1 = polynomial(dict%asDict(),'Y','X') p1 = polynomial(dict%asDict(),'Y','X')
if (dNeq(p1%at(x_ref+x)-coef(1),-(p1%at(x_ref-x)-coef(1)),1.0e-8_pReal)) error stop 'polynomials: eval(cubic)' if (dNeq(p1%at(x_ref+x)-coef(1),-(p1%at(x_ref-x)-coef(1)),1.0e-8_pReal)) error stop 'polynomials: eval(cubic)'
YAML_s = 'Y: '//trim(adjustl(coef_s(1)))//IO_EOL//& YAML_s = 'Y: '//trim(adjustl(coef_s(1)))//IO_EOL//&
'Y,X^4: '//trim(adjustl(coef_s(2)))//IO_EOL//& 'Y,X^4: '//trim(adjustl(coef_s(2)))//IO_EOL//&
'X_ref: '//trim(adjustl(x_ref_s))//IO_EOL 'X_ref: '//trim(adjustl(x_ref_s))//IO_EOL
Dict => YAML_parse_str(trim(YAML_s)) dict => YAML_parse_str_asDict(trim(YAML_s))
p1 = polynomial(dict%asDict(),'Y','X') p1 = polynomial(dict%asDict(),'Y','X')
if (dNeq(p1%at(x_ref+x),p1%at(x_ref-x),1.0e-6_pReal)) error stop 'polynomials: eval(quartic)' if (dNeq(p1%at(x_ref+x),p1%at(x_ref-x),1.0e-6_pReal)) error stop 'polynomials: eval(quartic)'