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Merge branch 'development' into fix-Intel2021

This commit is contained in:
Vitesh Shah 2021-05-22 14:51:25 +02:00
parent 3ee22cfc59 79ee4a696a
commit cc9a0e4865
20 changed files with 113 additions and 121 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit d10a94a36056d99ea0892d1c6c69aa0e1dbe9d46
Subproject commit c0716e46b72439a49212c5e9803a5886c03b4739

2
VERSION
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@ -1 +1 @@
v3.0.0-alpha3-101-g0f4e7e96d
v3.0.0-alpha3-129-g7440cc32a

13
examples/config/phase/damage/anisobrittle_cubic.yaml
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@ -1,8 +1,11 @@
N_cl: [3]
dot_o: 1e-3
g_crit: [0.50e7]
q: 20
s_crit: [0.006666]
type: anisobrittle
N_cl: [3]
g_crit: [0.50e7]
s_crit: [0.006666]
dot_o: 1e-3
q: 20
output: [f_phi]
D_11: 1.0
M: 0.001

9
examples/config/phase/damage/isobrittle_generic.yaml Normal file
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@ -0,0 +1,9 @@
type: isobrittle
W_crit: 1400000.0
m: 1.0
isoBrittle_atol: 0.01
output: [f_phi]
D_11: 1.0
M: 0.001

8
examples/mesh/material.yaml
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@ -1,15 +1,15 @@
homogenization:
SX:
N_constituents: 1
mechanics: {type: pass}
mechanical: {type: pass}
phase:
Aluminum:
lattice: cF
mechanics:
mechanical:
output: [F, P, F_e, F_p, L_p]
elasticity: {type: Hooke, C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9}
plasticity:
elastic: {type: Hooke, C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9}
plastic:
type: phenopowerlaw
N_sl: [12]
a_sl: 2.25

2
python/damask/_rotation.py
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@ -629,7 +629,7 @@ class Rotation:
else:
if np.any(qu[...,0] < 0.0):
raise ValueError('Quaternion with negative first (real) component.')
if not np.all(np.isclose(np.linalg.norm(qu,axis=-1), 1.0)):
if not np.all(np.isclose(np.linalg.norm(qu,axis=-1), 1.0,rtol=0.0)):
raise ValueError('Quaternion is not of unit length.')
return Rotation(qu)

12
python/damask/_table.py
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@ -384,7 +384,7 @@ class Table:
Returns
-------
udated : damask.Table
updated : damask.Table
Updated table.
"""
@ -412,7 +412,7 @@ class Table:
Returns
-------
udated : damask.Table
updated : damask.Table
Updated table.
"""
@ -435,7 +435,7 @@ class Table:
Returns
-------
udated : damask.Table
updated : damask.Table
Updated table.
"""
@ -461,7 +461,7 @@ class Table:
Returns
-------
udated : damask.Table
updated : damask.Table
Updated table.
"""
@ -494,7 +494,7 @@ class Table:
Returns
-------
udated : damask.Table
updated : damask.Table
Updated table.
"""
@ -519,7 +519,7 @@ class Table:
Returns
-------
udated : damask.Table
updated : damask.Table
Updated table.
"""

25
src/IO.f90
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@ -113,8 +113,7 @@ end function IO_readlines
!--------------------------------------------------------------------------------------------------
!> @brief Read whole file.
!> @details ensures that the string ends with a new line (expected UNIX behavior) and rejects
! windows (CRLF) line endings
!> @details ensures that the string ends with a new line (expected UNIX behavior)
!--------------------------------------------------------------------------------------------------
function IO_read(fileName) result(fileContent)
@ -124,8 +123,7 @@ function IO_read(fileName) result(fileContent)
integer :: &
fileLength, &
fileUnit, &
myStat, &
firstEOL
myStat
character, parameter :: CR = achar(13)
@ -143,12 +141,17 @@ function IO_read(fileName) result(fileContent)
if(myStat /= 0) call IO_error(102,ext_msg=trim(fileName))
close(fileUnit)
foundCRLF: if (scan(fileContent(:index(fileContent,IO_EOL)),CR) /= 0) then
CRLF2LF: block
integer :: c
do c=1, len(fileContent)
if (fileContent(c:c) == CR) fileContent(c:c) = ' '
enddo
end block CRLF2LF
endif foundCRLF
if(fileContent(fileLength:fileLength) /= IO_EOL) fileContent = fileContent//IO_EOL ! ensure EOL@EOF
firstEOL = index(fileContent,IO_EOL)
if(scan(fileContent(firstEOL:firstEOL),CR) /= 0) call IO_error(115)
end function IO_read
@ -400,9 +403,6 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'invalid character for logical:'
case (114)
msg = 'cannot decode base64 string:'
case (115)
msg = 'found CR. Windows file endings (CRLF) are not supported.'
!--------------------------------------------------------------------------------------------------
! lattice error messages
@ -644,11 +644,16 @@ subroutine selfTest
if(dNeq(1.0_pReal, IO_stringAsFloat('1.0'))) error stop 'IO_stringAsFloat'
if(dNeq(1.0_pReal, IO_stringAsFloat('1e0'))) error stop 'IO_stringAsFloat'
if(dNeq(0.1_pReal, IO_stringAsFloat('1e-1'))) error stop 'IO_stringAsFloat'
if(dNeq(0.1_pReal, IO_stringAsFloat('1.0e-1'))) error stop 'IO_stringAsFloat'
if(dNeq(0.1_pReal, IO_stringAsFloat('1.00e-1'))) error stop 'IO_stringAsFloat'
if(dNeq(10._pReal, IO_stringAsFloat(' 1.0e+1 '))) error stop 'IO_stringAsFloat'
if(3112019 /= IO_stringAsInt( '3112019')) error stop 'IO_stringAsInt'
if(3112019 /= IO_stringAsInt(' 3112019')) error stop 'IO_stringAsInt'
if(-3112019 /= IO_stringAsInt('-3112019')) error stop 'IO_stringAsInt'
if(3112019 /= IO_stringAsInt('+3112019 ')) error stop 'IO_stringAsInt'
if(3112019 /= IO_stringAsInt('03112019 ')) error stop 'IO_stringAsInt'
if(3112019 /= IO_stringAsInt('+03112019')) error stop 'IO_stringAsInt'
if(.not. IO_stringAsBool(' true')) error stop 'IO_stringAsBool'
if(.not. IO_stringAsBool(' True ')) error stop 'IO_stringAsBool'

35
src/phase.f90
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@ -67,10 +67,6 @@ module phase
damageState
integer, public, protected :: &
phase_plasticity_maxSizeDotState, &
phase_source_maxSizeDotState
interface
! == cleaned:begin =================================================================================
@ -235,11 +231,16 @@ module phase
logical :: converged_
end function crystallite_stress
!ToDo: Try to merge the all stiffness functions
module function phase_homogenizedC(ph,en) result(C)
integer, intent(in) :: ph, en
real(pReal), dimension(6,6) :: C
end function phase_homogenizedC
module function phase_damage_C(C_homogenized,ph,en) result(C)
real(pReal), dimension(3,3,3,3), intent(in) :: C_homogenized
integer, intent(in) :: ph,en
real(pReal), dimension(3,3,3,3) :: C
end function phase_damage_C
module function phase_f_phi(phi,co,ce) result(f)
integer, intent(in) :: ce,co
@ -372,19 +373,6 @@ subroutine phase_init
call damage_init
call thermal_init(phases)
phase_source_maxSizeDotState = 0
PhaseLoop2:do ph = 1,phases%length
!--------------------------------------------------------------------------------------------------
! partition and initialize state
plasticState(ph)%state = plasticState(ph)%state0
if(damageState(ph)%sizeState > 0) &
damageState(ph)%state = damageState(ph)%state0
enddo PhaseLoop2
phase_source_maxSizeDotState = maxval(damageState%sizeDotState)
phase_plasticity_maxSizeDotState = maxval(plasticState%sizeDotState)
end subroutine phase_init
@ -540,8 +528,7 @@ subroutine crystallite_init()
phases => config_material%get('phase')
do ph = 1, phases%length
if (damageState(ph)%sizeState > 0) &
allocate(damageState(ph)%subState0,source=damageState(ph)%state0) ! ToDo: hack
if (damageState(ph)%sizeState > 0) allocate(damageState(ph)%subState0,source=damageState(ph)%state0) ! ToDo: hack
enddo
print'(a42,1x,i10)', ' # of elements: ', eMax
@ -555,7 +542,7 @@ subroutine crystallite_init()
do ip = 1, size(material_phaseMemberAt,2)
do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
call crystallite_orientations(co,ip,el)
call plastic_dependentState(co,ip,el) ! update dependent state variables to be consistent with basic states
call plastic_dependentState(co,ip,el) ! update dependent state variables to be consistent with basic states
enddo
enddo
enddo
@ -571,9 +558,9 @@ end subroutine crystallite_init
subroutine crystallite_orientations(co,ip,el)
integer, intent(in) :: &
co, & !< counter in integration point component loop
ip, & !< counter in integration point loop
el !< counter in element loop
co, & !< counter in integration point component loop
ip, & !< counter in integration point loop
el !< counter in element loop
call crystallite_orientation(co,ip,el)%fromMatrix(transpose(math_rotationalPart(&

47
src/phase_damage.f90
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@ -15,13 +15,15 @@ submodule(phase) damage
DAMAGE_ANISOBRITTLE_ID
end enum
integer :: phase_damage_maxSizeDotState
type :: tDataContainer
real(pReal), dimension(:), allocatable :: phi, d_phi_d_dot_phi
end type tDataContainer
integer(kind(DAMAGE_UNDEFINED_ID)), dimension(:), allocatable :: &
phase_source !< active sources mechanisms of each phase
phase_damage !< active sources mechanisms of each phase
type(tDataContainer), dimension(:), allocatable :: current
@ -126,17 +128,38 @@ module subroutine damage_init
enddo
allocate(phase_source(phases%length), source = DAMAGE_UNDEFINED_ID)
allocate(phase_damage(phases%length), source = DAMAGE_UNDEFINED_ID)
if (damage_active) then
where(isobrittle_init() ) phase_source = DAMAGE_ISOBRITTLE_ID
where(isoductile_init() ) phase_source = DAMAGE_ISODUCTILE_ID
where(anisobrittle_init()) phase_source = DAMAGE_ANISOBRITTLE_ID
where(isobrittle_init() ) phase_damage = DAMAGE_ISOBRITTLE_ID
where(isoductile_init() ) phase_damage = DAMAGE_ISODUCTILE_ID
where(anisobrittle_init()) phase_damage = DAMAGE_ANISOBRITTLE_ID
endif
phase_damage_maxSizeDotState = maxval(damageState%sizeDotState)
end subroutine damage_init
!--------------------------------------------------------------------------------------------------
!> @brief returns the degraded/modified elasticity matrix
!--------------------------------------------------------------------------------------------------
module function phase_damage_C(C_homogenized,ph,en) result(C)
real(pReal), dimension(3,3,3,3), intent(in) :: C_homogenized
integer, intent(in) :: ph,en
real(pReal), dimension(3,3,3,3) :: C
damageType: select case (phase_damage(ph))
case (DAMAGE_ISOBRITTLE_ID) damageType
C = C_homogenized * damage_phi(ph,en)**2
case default damageType
C = C_homogenized
end select damageType
end function phase_damage_C
!----------------------------------------------------------------------------------------------
!< @brief returns local part of nonlocal damage driving force
!----------------------------------------------------------------------------------------------
@ -155,7 +178,7 @@ module function phase_f_phi(phi,co,ce) result(f)
ph = material_phaseID(co,ce)
en = material_phaseEntry(co,ce)
select case(phase_source(ph))
select case(phase_damage(ph))
case(DAMAGE_ISOBRITTLE_ID,DAMAGE_ISODUCTILE_ID,DAMAGE_ANISOBRITTLE_ID)
f = 1.0_pReal &
- phi*damageState(ph)%state(1,en)
@ -187,9 +210,9 @@ module function integrateDamageState(dt,co,ip,el) result(broken)
size_so
real(pReal) :: &
zeta
real(pReal), dimension(phase_source_maxSizeDotState) :: &
real(pReal), dimension(phase_damage_maxSizeDotState) :: &
r ! state residuum
real(pReal), dimension(phase_source_maxSizeDotState,2) :: source_dotState
real(pReal), dimension(phase_damage_maxSizeDotState,2) :: source_dotState
logical :: &
converged_
@ -275,10 +298,10 @@ module subroutine damage_results(group,ph)
integer, intent(in) :: ph
if (phase_source(ph) /= DAMAGE_UNDEFINED_ID) &
if (phase_damage(ph) /= DAMAGE_UNDEFINED_ID) &
call results_closeGroup(results_addGroup(group//'damage'))
sourceType: select case (phase_source(ph))
sourceType: select case (phase_damage(ph))
case (DAMAGE_ISOBRITTLE_ID) sourceType
call isobrittle_results(ph,group//'damage/')
@ -309,7 +332,7 @@ function phase_damage_collectDotState(ph,me) result(broken)
if (damageState(ph)%sizeState > 0) then
sourceType: select case (phase_source(ph))
sourceType: select case (phase_damage(ph))
case (DAMAGE_ISODUCTILE_ID) sourceType
call isoductile_dotState(ph,me)
@ -376,7 +399,7 @@ function phase_damage_deltaState(Fe, ph, me) result(broken)
if (damageState(ph)%sizeState == 0) return
sourceType: select case (phase_source(ph))
sourceType: select case (phase_damage(ph))
case (DAMAGE_ISOBRITTLE_ID) sourceType
call isobrittle_deltaState(phase_homogenizedC(ph,me), Fe, ph,me)

4
src/phase_damage_isobrittle.f90
View File

@ -66,14 +66,14 @@ module function isobrittle_init() result(mySources)
Nmembers = count(material_phaseID==ph)
call phase_allocateState(damageState(ph),Nmembers,1,1,1)
damageState(ph)%atol = src%get_asFloat('isoBrittle_atol',defaultVal=1.0e-3_pReal)
damageState(ph)%atol = src%get_asFloat('isobrittle_atol',defaultVal=1.0e-3_pReal)
if(any(damageState(ph)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isobrittle_atol'
end associate
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_isoBrittle)')
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_isobrittle)')
endif
enddo

4
src/phase_damage_isoductile.f90
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@ -70,14 +70,14 @@ module function isoductile_init() result(mySources)
Nmembers=count(material_phaseID==ph)
call phase_allocateState(damageState(ph),Nmembers,1,1,0)
damageState(ph)%atol = src%get_asFloat('isoDuctile_atol',defaultVal=1.0e-3_pReal)
damageState(ph)%atol = src%get_asFloat('isoductile_atol',defaultVal=1.0e-3_pReal)
if(any(damageState(ph)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isoductile_atol'
end associate
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_isoDuctile)')
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_isoductile)')
endif
enddo

8
src/phase_mechanical.f90
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@ -41,6 +41,7 @@ submodule(phase) mechanical
integer(kind(PLASTICITY_undefined_ID)), dimension(:), allocatable :: &
phase_plasticity !< plasticity of each phase
integer :: phase_plasticity_maxSizeDotState
interface
@ -68,7 +69,7 @@ submodule(phase) mechanical
dS_dFe, & !< derivative of 2nd P-K stress with respect to elastic deformation gradient
dS_dFi !< derivative of 2nd P-K stress with respect to intermediate deformation gradient
end subroutine phase_hooke_SandItsTangents
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,ph,en)
real(pReal), dimension(3,3), intent(out) :: &
Li !< inleastic velocity gradient
@ -294,6 +295,11 @@ module subroutine mechanical_init(materials,phases)
call plastic_init()
do ph = 1,phases%length
plasticState(ph)%state0 = plasticState(ph)%state
enddo
phase_plasticity_maxSizeDotState = maxval(plasticState%sizeDotState)
num_crystallite => config_numerics%get('crystallite',defaultVal=emptyDict)

41
src/phase_mechanical_elastic.f90
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@ -2,18 +2,11 @@ submodule(phase:mechanical) elastic
enum, bind(c); enumerator :: &
ELASTICITY_UNDEFINED_ID, &
ELASTICITY_HOOKE_ID, &
STIFFNESS_DEGRADATION_UNDEFINED_ID, &
STIFFNESS_DEGRADATION_DAMAGE_ID
ELASTICITY_HOOKE_ID
end enum
integer, dimension(:), allocatable :: &
phase_NstiffnessDegradations
integer(kind(ELASTICITY_UNDEFINED_ID)), dimension(:), allocatable :: &
phase_elasticity !< elasticity of each phase
integer(kind(STIFFNESS_DEGRADATION_UNDEFINED_ID)), dimension(:,:), allocatable :: &
phase_stiffnessDegradation !< active stiffness degradation mechanisms of each phase
contains
@ -24,18 +17,15 @@ module subroutine elastic_init(phases)
phases
integer :: &
ph, &
stiffDegradationCtr
ph
class(tNode), pointer :: &
phase, &
mech, &
elastic, &
stiffDegradation
elastic
print'(/,a)', ' <<<+- phase:mechanical:elastic init -+>>>'
allocate(phase_elasticity(phases%length), source = ELASTICITY_undefined_ID)
allocate(phase_NstiffnessDegradations(phases%length),source=0)
do ph = 1, phases%length
phase => phases%get(ph)
@ -46,25 +36,8 @@ module subroutine elastic_init(phases)
else
call IO_error(200,ext_msg=elastic%get_asString('type'))
endif
stiffDegradation => mech%get('stiffness_degradation',defaultVal=emptyList) ! check for stiffness degradation mechanisms
phase_NstiffnessDegradations(ph) = stiffDegradation%length
enddo
allocate(phase_stiffnessDegradation(maxval(phase_NstiffnessDegradations),phases%length), &
source=STIFFNESS_DEGRADATION_undefined_ID)
if(maxVal(phase_NstiffnessDegradations)/=0) then
do ph = 1, phases%length
phase => phases%get(ph)
mech => phase%get('mechanical')
stiffDegradation => mech%get('stiffness_degradation',defaultVal=emptyList)
do stiffDegradationCtr = 1, stiffDegradation%length
if(stiffDegradation%get_asString(stiffDegradationCtr) == 'damage') &
phase_stiffnessDegradation(stiffDegradationCtr,ph) = STIFFNESS_DEGRADATION_damage_ID
enddo
enddo
endif
end subroutine elastic_init
@ -94,13 +67,7 @@ module subroutine phase_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
i, j
C = math_66toSym3333(phase_homogenizedC(ph,en))
DegradationLoop: do d = 1, phase_NstiffnessDegradations(ph)
degradationType: select case(phase_stiffnessDegradation(d,ph))
case (STIFFNESS_DEGRADATION_damage_ID) degradationType
C = C * damage_phi(ph,en)**2
end select degradationType
enddo DegradationLoop
C = phase_damage_C(C,ph,en)
E = 0.5_pReal*(matmul(transpose(Fe),Fe)-math_I3) !< Green-Lagrange strain in unloaded configuration
S = math_mul3333xx33(C,matmul(matmul(transpose(Fi),E),Fi)) !< 2PK stress in lattice configuration in work conjugate with GL strain pulled back to lattice configuration

4
src/phase_mechanical_plastic_dislotungsten.f90
View File

@ -254,8 +254,6 @@ module function plastic_dislotungsten_init() result(myPlasticity)
allocate(dst%Lambda_sl(prm%sum_N_sl,Nmembers), source=0.0_pReal)
allocate(dst%threshold_stress(prm%sum_N_sl,Nmembers), source=0.0_pReal)
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
end associate
!--------------------------------------------------------------------------------------------------
@ -414,7 +412,7 @@ module subroutine plastic_dislotungsten_results(ph,group)
'mobile dislocation density','1/m²')
case('rho_dip')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%rho_dip,trim(prm%output(o)), &
'dislocation dipole density''1/m²')
'dislocation dipole density','1/m²')
case('gamma_sl')
if(prm%sum_N_sl>0) call results_writeDataset(group,stt%gamma_sl,trim(prm%output(o)), &
'plastic shear','1')

2
src/phase_mechanical_plastic_dislotwin.f90
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@ -467,8 +467,6 @@ module function plastic_dislotwin_init() result(myPlasticity)
allocate(dst%tau_r_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
allocate(dst%V_tr (prm%sum_N_tr,Nmembers),source=0.0_pReal)
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
end associate
!--------------------------------------------------------------------------------------------------

2
src/phase_mechanical_plastic_isotropic.f90
View File

@ -140,8 +140,6 @@ module function plastic_isotropic_init() result(myPlasticity)
! global alias
plasticState(ph)%slipRate => plasticState(ph)%dotState(2:2,:)
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
end associate
!--------------------------------------------------------------------------------------------------

2
src/phase_mechanical_plastic_kinehardening.f90
View File

@ -213,8 +213,6 @@ module function plastic_kinehardening_init() result(myPlasticity)
stt%gamma0 => plasticState(ph)%state (startIndex :endIndex ,:)
dlt%gamma0 => plasticState(ph)%deltaState(startIndex-o:endIndex-o,:)
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
end associate
!--------------------------------------------------------------------------------------------------

2
src/phase_mechanical_plastic_phenopowerlaw.f90
View File

@ -265,8 +265,6 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
end associate
!--------------------------------------------------------------------------------------------------

10
src/rotations.f90
View File

@ -178,8 +178,7 @@ subroutine fromQuaternion(self,qu)
class(rotation), intent(out) :: self
real(pReal), dimension(4), intent(in) :: qu
if (dNeq(norm2(qu),1.0_pReal)) &
call IO_error(402,ext_msg='fromQuaternion')
if (dNeq(norm2(qu),1.0_pReal,1.0e-8_pReal)) call IO_error(402,ext_msg='fromQuaternion')
self%q = qu
@ -1394,7 +1393,7 @@ end function conjugate_quaternion
!--------------------------------------------------------------------------------------------------
!> @brief Check correctness of some rotations functions.
!--------------------------------------------------------------------------------------------------
subroutine selfTest
subroutine selfTest()
type(rotation) :: R
real(pReal), dimension(4) :: qu, ax, ro
@ -1405,7 +1404,7 @@ subroutine selfTest
integer :: i
do i = 1, 10
do i = 1, 20
#if defined(__GFORTRAN__) && __GNUC__<9
if(i<7) cycle
@ -1433,6 +1432,7 @@ subroutine selfTest
sin(2.0_pReal*PI*x(1))*A]
if(qu(1)<0.0_pReal) qu = qu * (-1.0_pReal)
endif
if(.not. quaternion_equal(om2qu(qu2om(qu)),qu)) error stop 'om2qu/qu2om'
if(.not. quaternion_equal(eu2qu(qu2eu(qu)),qu)) error stop 'eu2qu/qu2eu'
if(.not. quaternion_equal(ax2qu(qu2ax(qu)),qu)) error stop 'ax2qu/qu2ax'
@ -1479,6 +1479,8 @@ subroutine selfTest
if(all(dNeq(R%rotTensor4(R%rotTensor4(t3333),active=.true.),t3333,1.0e-12_pReal))) &
error stop 'rotTensor4'
call R%fromQuaternion(qu * (1.0_pReal + merge(+5.e-9_pReal,-5.e-9_pReal, mod(i,2) == 0))) ! allow reasonable tolerance for ASCII/YAML
enddo
contains