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Merge branch '95-report-origin-of-configuration-file' into 'development' 

Resolve "Report origin of configuration file"

Closes #95

See merge request damask/DAMASK!736
This commit is contained in:
Daniel Otto de Mentock 2023-03-02 09:31:04 +00:00
parent 4e3dc69762 f3da19a8e2
commit 4e53061b69
18 changed files with 212 additions and 50 deletions
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62
src/IO.f90
View File

@ -11,6 +11,7 @@ module IO
IO_STDERR => ERROR_UNIT
use prec
use misc
implicit none(type,external)
private
@ -30,6 +31,7 @@ module IO
IO_read, &
IO_readlines, &
IO_isBlank, &
IO_wrapLines, &
IO_stringPos, &
IO_stringValue, &
IO_intValue, &
@ -158,6 +160,51 @@ logical pure function IO_isBlank(string)
end function IO_isBlank
!--------------------------------------------------------------------------------------------------
!> @brief Insert EOL at separator trying to keep line length below limit.
!--------------------------------------------------------------------------------------------------
function IO_wrapLines(string,separator,filler,length)
character(len=*), intent(in) :: string !< string to split
character, optional, intent(in) :: separator !< line breaks are possible after this character, defaults to ','
character(len=*), optional, intent(in) :: filler !< character(s) to insert after line break, defaults to none
integer, optional, intent(in) :: length !< (soft) line limit, defaults to 80
character(len=:), allocatable :: IO_wrapLines
integer, dimension(:), allocatable :: pos_sep, pos_split
integer :: i,s,e
i = index(string,misc_optional(separator,','))
if (i == 0) then
IO_wrapLines = string
else
pos_sep = [0]
s = i
do while (i /= 0 .and. s < len(string))
pos_sep = [pos_sep,s]
i = index(string(s+1:),misc_optional(separator,','))
s = s + i
end do
pos_sep = [pos_sep,len(string)]
pos_split = emptyIntArray
s = 1
e = 2
IO_wrapLines = ''
do while (e < size(pos_sep))
if (pos_sep(e+1) - pos_sep(s) >= misc_optional(length,80)) then
IO_wrapLines = IO_wrapLines//adjustl(string(pos_sep(s)+1:pos_sep(e)))//IO_EOL//misc_optional(filler,'')
s = e
end if
e = e + 1
end do
IO_wrapLines = IO_wrapLines//adjustl(string(pos_sep(s)+1:))
end if
end function IO_wrapLines
!--------------------------------------------------------------------------------------------------
!> @brief Locate all whitespace-separated chunks in given string and returns array containing
!! number them and the left/right position to be used by IO_xxxVal.
@ -748,6 +795,21 @@ subroutine selfTest()
str=' ab #';out=IO_rmComment(str)
if (out /= ' ab'.or. len(out) /= 3) error stop 'IO_rmComment/6'
if ('abc, def' /= IO_wrapLines('abc, def')) &
error stop 'IO_wrapLines/1'
if ('abc,'//IO_EOL//'def' /= IO_wrapLines('abc,def',length=3)) &
error stop 'IO_wrapLines/2'
if ('abc,'//IO_EOL//'def' /= IO_wrapLines('abc,def',length=5)) &
error stop 'IO_wrapLines/3'
if ('abc, def' /= IO_wrapLines('abc, def',length=3,separator='.')) &
error stop 'IO_wrapLines/4'
if ('abc.'//IO_EOL//'def' /= IO_wrapLines('abc. def',length=3,separator='.')) &
error stop 'IO_wrapLines/5'
if ('abc,'//IO_EOL//'defg,'//IO_EOL//'hij' /= IO_wrapLines('abc,defg,hij',length=4)) &
error stop 'IO_wrapLines/6'
if ('abc,'//IO_EOL//'xxdefg,'//IO_EOL//'xxhij' /= IO_wrapLines('abc,defg, hij',filler='xx',length=4)) &
error stop 'IO_wrapLines/7'
end subroutine selfTest
end module IO

79
src/config.f90
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@ -4,6 +4,7 @@
!--------------------------------------------------------------------------------------------------
module config
use IO
use misc
use YAML_parse
use YAML_types
use result
@ -19,7 +20,8 @@ module config
public :: &
config_init, &
config_material_deallocate, &
config_numerics_deallocate
config_numerics_deallocate, &
config_listReferences
contains
@ -36,6 +38,58 @@ subroutine config_init()
end subroutine config_init
!--------------------------------------------------------------------------------------------------
!> @brief Deallocate config_material.
!--------------------------------------------------------------------------------------------------
subroutine config_material_deallocate()
print'(/,1x,a)', 'deallocating material configuration'; flush(IO_STDOUT)
deallocate(config_material)
end subroutine config_material_deallocate
!--------------------------------------------------------------------------------------------------
!> @brief Deallocate config_numerics if present.
!--------------------------------------------------------------------------------------------------
subroutine config_numerics_deallocate()
if (.not. associated(config_numerics, emptyDict)) then
print'(/,1x,a)', 'deallocating numerics configuration'; flush(IO_STDOUT)
deallocate(config_numerics)
end if
end subroutine config_numerics_deallocate
!--------------------------------------------------------------------------------------------------
!> @brief Return string with references from dict.
!--------------------------------------------------------------------------------------------------
function config_listReferences(config,indent) result(references)
type(tDict) :: config
integer, optional :: indent
character(len=:), allocatable :: references
type(tList), pointer :: ref
character(len=:), allocatable :: filler
integer :: r
filler = repeat(' ',misc_optional(indent,0))
ref => config%get_list('references',emptyList)
if (ref%length == 0) then
references = ''
else
references = 'references:'
do r = 1, ref%length
references = references//IO_EOL//filler//'- '//IO_wrapLines(ref%get_asString(r),filler=filler//' ')
end do
end if
end function config_listReferences
!--------------------------------------------------------------------------------------------------
!> @brief Read material.yaml.
!--------------------------------------------------------------------------------------------------
@ -93,27 +147,4 @@ subroutine parse_numerics()
end subroutine parse_numerics
!--------------------------------------------------------------------------------------------------
!> @brief Deallocate config_material.
!--------------------------------------------------------------------------------------------------
subroutine config_material_deallocate()
print'(/,1x,a)', 'deallocating material configuration'; flush(IO_STDOUT)
deallocate(config_material)
end subroutine config_material_deallocate
!--------------------------------------------------------------------------------------------------
!> @brief Deallocate config_numerics if present.
!--------------------------------------------------------------------------------------------------
subroutine config_numerics_deallocate()
if (.not. associated(config_numerics, emptyDict)) then
print'(/,1x,a)', 'deallocating numerics configuration'; flush(IO_STDOUT)
deallocate(config_numerics)
end if
end subroutine config_numerics_deallocate
end module config

2
src/material.f90
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@ -79,7 +79,7 @@ end subroutine material_init
!--------------------------------------------------------------------------------------------------
!> @brief Parse material.yaml to get the global structure
!> @brief Parse material.yaml to get the global structure.
!--------------------------------------------------------------------------------------------------
subroutine parse()

6
src/phase.f90
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@ -382,6 +382,7 @@ subroutine phase_init
type(tDict), pointer :: &
phases, &
phase
character(len=:), allocatable :: refs
print'(/,1x,a)', '<<<+- phase init -+>>>'; flush(IO_STDOUT)
@ -393,7 +394,10 @@ subroutine phase_init
allocate(phase_O_0(phases%length))
do ph = 1,phases%length
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
phase => phases%get_dict(ph)
refs = config_listReferences(phase,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
phase_lattice(ph) = phase%get_asString('lattice')
if (all(phase_lattice(ph) /= ['cF','cI','hP','tI'])) &
call IO_error(130,ext_msg='phase_init: '//phase%get_asString('lattice'))
@ -516,7 +520,7 @@ end subroutine phase_result
!--------------------------------------------------------------------------------------------------
!> @brief allocates and initialize per grain variables
!> @brief Allocate and initialize.
!--------------------------------------------------------------------------------------------------
subroutine crystallite_init()

4
src/phase_damage.f90
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@ -82,6 +82,7 @@ module subroutine damage_init()
phases, &
phase, &
source
character(len=:), allocatable :: refs
logical:: damage_active
@ -103,6 +104,9 @@ module subroutine damage_init()
phase => phases%get_dict(ph)
source => phase%get_dict('damage',defaultVal=emptyDict)
if (source%length > 0) then
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(source,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
damage_active = .true.
param(ph)%mu = source%get_asFloat('mu')
param(ph)%l_c = source%get_asFloat('l_c')

8
src/phase_damage_anisobrittle.f90
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@ -41,7 +41,9 @@ module function anisobrittle_init() result(mySources)
src
integer :: Nmembers,ph
integer, dimension(:), allocatable :: N_cl
character(len=:), allocatable :: extmsg
character(len=:), allocatable :: &
refs, &
extmsg
mySources = source_active('anisobrittle')
@ -62,6 +64,10 @@ module function anisobrittle_init() result(mySources)
associate(prm => param(ph))
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(src,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
N_cl = src%get_as1dInt('N_cl',defaultVal=emptyIntArray)
prm%sum_N_cl = sum(abs(N_cl))

8
src/phase_damage_isobrittle.f90
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@ -39,7 +39,9 @@ module function isobrittle_init() result(mySources)
phase, &
src
integer :: Nmembers,ph
character(len=:), allocatable :: extmsg
character(len=:), allocatable :: &
refs, &
extmsg
mySources = source_active('isobrittle')
@ -64,6 +66,10 @@ module function isobrittle_init() result(mySources)
prm%W_crit = src%get_asFloat('G_crit')/src%get_asFloat('l_c')
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(src,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
#if defined (__GFORTRAN__)
prm%output = output_as1dString(src)
#else

4
src/phase_mechanical_elastic.f90
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@ -28,6 +28,7 @@ module subroutine elastic_init(phases)
phase, &
mech, &
elastic
character(len=:), allocatable :: refs
print'(/,1x,a)', '<<<+- phase:mechanical:elastic init -+>>>'
@ -42,6 +43,9 @@ module subroutine elastic_init(phases)
phase => phases%get_dict(ph)
mech => phase%get_dict('mechanical')
elastic => mech%get_dict('elastic')
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(elastic,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
if (elastic%get_asString('type') /= 'Hooke') call IO_error(200,ext_msg=elastic%get_asString('type'))
associate(prm => param(ph))

8
src/phase_mechanical_plastic_dislotungsten.f90
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@ -93,7 +93,9 @@ module function plastic_dislotungsten_init() result(myPlasticity)
rho_mob_0, & !< initial dislocation density
rho_dip_0, & !< initial dipole density
a !< non-Schmid coefficients
character(len=:), allocatable :: extmsg
character(len=:), allocatable :: &
refs, &
extmsg
type(tDict), pointer :: &
phases, &
phase, &
@ -128,6 +130,10 @@ module function plastic_dislotungsten_init() result(myPlasticity)
mech => phase%get_dict('mechanical')
pl => mech%get_dict('plastic')
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(pl,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
#if defined (__GFORTRAN__)
prm%output = output_as1dString(pl)
#else

8
src/phase_mechanical_plastic_dislotwin.f90
View File

@ -140,7 +140,9 @@ module function plastic_dislotwin_init() result(myPlasticity)
real(pReal), allocatable, dimension(:) :: &
rho_mob_0, & !< initial unipolar dislocation density per slip system
rho_dip_0 !< initial dipole dislocation density per slip system
character(len=:), allocatable :: extmsg
character(len=:), allocatable :: &
refs, &
extmsg
type(tDict), pointer :: &
phases, &
phase, &
@ -181,6 +183,10 @@ module function plastic_dislotwin_init() result(myPlasticity)
mech => phase%get_dict('mechanical')
pl => mech%get_dict('plastic')
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(pl,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
#if defined (__GFORTRAN__)
prm%output = output_as1dString(pl)
#else

8
src/phase_mechanical_plastic_isotropic.f90
View File

@ -54,7 +54,9 @@ module function plastic_isotropic_init() result(myPlasticity)
sizeState, sizeDotState
real(pReal) :: &
xi_0 !< initial critical stress
character(len=:), allocatable :: extmsg
character(len=:), allocatable :: &
refs, &
extmsg
type(tDict), pointer :: &
phases, &
phase, &
@ -86,6 +88,10 @@ module function plastic_isotropic_init() result(myPlasticity)
mech => phase%get_dict('mechanical')
pl => mech%get_dict('plastic')
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(pl,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
#if defined (__GFORTRAN__)
prm%output = output_as1dString(pl)
#else

9
src/phase_mechanical_plastic_kinehardening.f90
View File

@ -77,13 +77,16 @@ module function plastic_kinehardening_init() result(myPlasticity)
real(pReal), dimension(:), allocatable :: &
xi_0, & !< initial resistance against plastic flow
a !< non-Schmid coefficients
character(len=:), allocatable :: extmsg
character(len=:), allocatable :: &
refs, &
extmsg
type(tDict), pointer :: &
phases, &
phase, &
mech, &
pl
myPlasticity = plastic_active('kinehardening')
if (count(myPlasticity) == 0) return
@ -111,6 +114,10 @@ module function plastic_kinehardening_init() result(myPlasticity)
mech => phase%get_dict('mechanical')
pl => mech%get_dict('plastic')
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(pl,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
#if defined (__GFORTRAN__)
prm%output = output_as1dString(pl)
#else

1
src/phase_mechanical_plastic_none.f90
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@ -31,6 +31,7 @@ module function plastic_none_init() result(myPlasticity)
phases => config_material%get_dict('phase')
do ph = 1, phases%length
if (.not. myPlasticity(ph)) cycle
print'(a,i0,a)', ' phase ',ph
call phase_allocateState(plasticState(ph),count(material_ID_phase == ph),0,0,0)
end do

10
src/phase_mechanical_plastic_nonlocal.f90
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@ -188,7 +188,9 @@ module function plastic_nonlocal_init() result(myPlasticity)
s, t, l
real(pReal), dimension(:), allocatable :: &
a
character(len=:), allocatable :: extmsg
character(len=:), allocatable :: &
refs, &
extmsg
type(tInitialParameters) :: &
ini
type(tDict), pointer :: &
@ -234,13 +236,17 @@ module function plastic_nonlocal_init() result(myPlasticity)
mech => phase%get_dict('mechanical')
pl => mech%get_dict('plastic')
plasticState(ph)%nonlocal = pl%get_asBool('flux',defaultVal=.True.)
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(pl,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
#if defined (__GFORTRAN__)
prm%output = output_as1dString(pl)
#else
prm%output = pl%get_as1dString('output',defaultVal=emptyStringArray)
#endif
plasticState(ph)%nonlocal = pl%get_asBool('flux',defaultVal=.True.)
prm%isotropic_bound = pl%get_asString('isotropic_bound',defaultVal='isostrain')
prm%atol_rho = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)

23
src/phase_mechanical_plastic_phenopowerlaw.f90
View File

@ -91,7 +91,9 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
xi_0_sl, & !< initial critical shear stress for slip
xi_0_tw, & !< initial critical shear stress for twin
a !< non-Schmid coefficients
character(len=:), allocatable :: extmsg
character(len=:), allocatable :: &
refs, &
extmsg
type(tDict), pointer :: &
phases, &
phase, &
@ -122,6 +124,16 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
mech => phase%get_dict('mechanical')
pl => mech%get_dict('plastic')
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(pl,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
#if defined (__GFORTRAN__)
prm%output = output_as1dString(pl)
#else
prm%output = pl%get_as1dString('output',defaultVal=emptyStringArray)
#endif
!--------------------------------------------------------------------------------------------------
! slip related parameters
N_sl = pl%get_as1dInt('N_sl',defaultVal=emptyIntArray)
@ -217,15 +229,6 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
prm%h_0_tw_sl = 0.0_pReal
end if slipAndTwinActive
!--------------------------------------------------------------------------------------------------
! output pararameters
#if defined (__GFORTRAN__)
prm%output = output_as1dString(pl)
#else
prm%output = pl%get_as1dString('output',defaultVal=emptyStringArray)
#endif
!--------------------------------------------------------------------------------------------------
! allocate state arrays
Nmembers = count(material_ID_phase == ph)

6
src/phase_thermal.f90
View File

@ -84,7 +84,7 @@ module subroutine thermal_init(phases)
thermal
type(tList), pointer :: &
sources
character(len=:), allocatable :: refs
integer :: &
ph, so, &
Nmembers
@ -92,7 +92,6 @@ module subroutine thermal_init(phases)
print'(/,1x,a)', '<<<+- phase:thermal init -+>>>'
allocate(current(phases%length))
allocate(thermalState(phases%length))
allocate(thermal_Nsources(phases%length),source = 0)
@ -107,6 +106,9 @@ module subroutine thermal_init(phases)
! ToDo: temperature dependency of K and C_p
if (thermal%length > 0) then
print'(/,1x,a,i0,a)', 'phase ',ph,': '//phases%key(ph)
refs = config_listReferences(thermal,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
param(ph)%C_p = thermal%get_asFloat('C_p')
param(ph)%K(1,1) = thermal%get_asFloat('K_11')
if (any(phase_lattice(ph) == ['hP','tI'])) param(ph)%K(3,3) = thermal%get_asFloat('K_33')

4
src/phase_thermal_dissipation.f90
View File

@ -34,6 +34,7 @@ module function dissipation_init(source_length) result(mySources)
src
class(tList), pointer :: &
sources
character(len=:), allocatable :: refs
integer :: so,Nmembers,ph
@ -56,6 +57,9 @@ module function dissipation_init(source_length) result(mySources)
if (mySources(so,ph)) then
associate(prm => param(ph))
src => sources%get_dict(so)
print'(1x,a,i0,a,i0)', 'phase ',ph,' source ',so
refs = config_listReferences(src,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
prm%kappa = src%get_asFloat('kappa')
Nmembers = count(material_ID_phase == ph)

4
src/phase_thermal_externalheat.f90
View File

@ -36,6 +36,7 @@ module function externalheat_init(source_length) result(mySources)
src
type(tList), pointer :: &
sources
character(len=:), allocatable :: refs
integer :: so,Nmembers,ph
@ -60,6 +61,9 @@ module function externalheat_init(source_length) result(mySources)
source_thermal_externalheat_offset(ph) = so
associate(prm => param(ph))
src => sources%get_dict(so)
print'(1x,a,i0,a,i0)', 'phase ',ph,' source ',so
refs = config_listReferences(src,indent=3)
if (len(refs) > 0) print'(/,1x,a)', refs
prm%f = table(src,'t','f')