Merge remote-tracking branch 'origin/development' into Marc-use-statev-2

PRIVATE repository is synced again (including changes to RGC test)

.gitlab-ci.yml

@@ -251,13 +251,6 @@ Thermal:
     - master
     - release
 
-grid_packedGeometry:
-  stage: grid
-  script: grid_packedGeometry/test.py
-  except:
-    - master
-    - release
-
 grid_parsingArguments:
   stage: grid
   script: grid_parsingArguments/test.py

PRIVATE

@@ -1 +1 @@
-Subproject commit 0cbe1cdb13388e33ecc0427d83aab0e090ca8f9d
+Subproject commit 1b82ac39703fdea70962aea47a0381d50bd1d44e

VERSION

@@ -1 +1 @@
-v3.0.0-alpha-89-g23d61511
+v3.0.0-alpha-92-g751bf786

processing/post/addOrientations.py

@@ -104,8 +104,8 @@ input = [options.eulers     is not None,
 
 if np.sum(input) != 1: parser.error('needs exactly one input format.')
 
-r = damask.Rotation.from_axis_angle(np.array(options.crystalrotation),options.degrees,normalise=True)
+r = damask.Rotation.from_axis_angle(np.array(options.crystalrotation),options.degrees,normalize=True)
-R = damask.Rotation.from_axis_angle(np.array(options.labrotation),options.degrees,normalise=True)
+R = damask.Rotation.from_axis_angle(np.array(options.labrotation),options.degrees,normalize=True)
 
 for name in filenames:
     damask.util.report(scriptName,name)

python/damask/_rotation.py

@@ -408,7 +408,7 @@ class Rotation:
     @staticmethod
     def from_axis_angle(axis_angle,
                         degrees = False,
-                        normalise = False,
+                        normalize = False,
                         P = -1):
         """
         Initialize from Axis angle pair.
@@ -434,7 +434,7 @@ class Rotation:
 
         if P == 1:    ax[...,0:3] *= -1
         if degrees:   ax[...,  3]  = np.radians(ax[...,3])
-        if normalise: ax[...,0:3] /= np.linalg.norm(ax[...,0:3],axis=-1)
+        if normalize: ax[...,0:3] /= np.linalg.norm(ax[...,0:3],axis=-1)
         if np.any(ax[...,3] < 0.0) or np.any(ax[...,3] > np.pi):
             raise ValueError('Axis angle rotation angle outside of [0..π].')
         if not np.all(np.isclose(np.linalg.norm(ax[...,0:3],axis=-1), 1.0)):
@@ -493,7 +493,7 @@ class Rotation:
 
     @staticmethod
     def from_Rodrigues(rho,
-                       normalise = False,
+                       normalize = False,
                        P = -1):
         """
         Initialize from Rodrigues-Frank vector.
@@ -516,7 +516,7 @@ class Rotation:
             raise ValueError('P ∉ {-1,1}')
 
         if P == 1:    ro[...,0:3] *= -1
-        if normalise: ro[...,0:3] /= np.linalg.norm(ro[...,0:3],axis=-1)
+        if normalize: ro[...,0:3] /= np.linalg.norm(ro[...,0:3],axis=-1)
         if np.any(ro[...,3] < 0.0):
             raise ValueError('Rodrigues vector rotation angle not positive.')
         if not np.all(np.isclose(np.linalg.norm(ro[...,0:3],axis=-1), 1.0)):

python/tests/test_Rotation.py

@@ -698,13 +698,13 @@ class TestRotation:
             assert ok and np.isclose(np.linalg.norm(o),1.0)
 
     @pytest.mark.parametrize('P',[1,-1])
-    @pytest.mark.parametrize('normalise',[True,False])
+    @pytest.mark.parametrize('normalize',[True,False])
     @pytest.mark.parametrize('degrees',[True,False])
-    def test_axis_angle(self,set_of_rotations,degrees,normalise,P):
+    def test_axis_angle(self,set_of_rotations,degrees,normalize,P):
         c = np.array([P*-1,P*-1,P*-1,1.])
         for rot in set_of_rotations:
             m = rot.as_Eulers()
-            o = Rotation.from_axis_angle(rot.as_axis_angle(degrees)*c,degrees,normalise,P).as_Eulers()
+            o = Rotation.from_axis_angle(rot.as_axis_angle(degrees)*c,degrees,normalize,P).as_Eulers()
             u = np.array([np.pi*2,np.pi,np.pi*2])
             ok = np.allclose(m,o,atol=atol)
             ok = ok or np.allclose(np.where(np.isclose(m,u),m-u,m),np.where(np.isclose(o,u),o-u,o),atol=atol)
@@ -725,12 +725,12 @@ class TestRotation:
             assert ok and np.isclose(np.linalg.norm(o[:3]),1.0) and o[3]<=np.pi+1.e-9
 
     @pytest.mark.parametrize('P',[1,-1])
-    @pytest.mark.parametrize('normalise',[True,False])
+    @pytest.mark.parametrize('normalize',[True,False])
-    def test_Rodrigues(self,set_of_rotations,normalise,P):
+    def test_Rodrigues(self,set_of_rotations,normalize,P):
         c = np.array([P*-1,P*-1,P*-1,1.])
         for rot in set_of_rotations:
             m = rot.as_matrix()
-            o = Rotation.from_Rodrigues(rot.as_Rodrigues()*c,normalise,P).as_matrix()
+            o = Rotation.from_Rodrigues(rot.as_Rodrigues()*c,normalize,P).as_matrix()
             ok = np.allclose(m,o,atol=atol)
             print(m,o)
             assert ok and np.isclose(np.linalg.det(o),1.0)

src/homogenization_mech_RGC.f90

@@ -188,10 +188,10 @@ module subroutine mech_RGC_init(num_homogMech)
     stt%work               => homogState(h)%state(nIntFaceTot+1,:)
     stt%penaltyEnergy      => homogState(h)%state(nIntFaceTot+2,:)
 
-    allocate(dst%volumeDiscrepancy(   NofMyHomog))
+    allocate(dst%volumeDiscrepancy(   NofMyHomog), source=0.0_pReal)
-    allocate(dst%relaxationRate_avg(  NofMyHomog))
+    allocate(dst%relaxationRate_avg(  NofMyHomog), source=0.0_pReal)
-    allocate(dst%relaxationRate_max(  NofMyHomog))
+    allocate(dst%relaxationRate_max(  NofMyHomog), source=0.0_pReal)
-    allocate(dst%mismatch(          3,NofMyHomog))
+    allocate(dst%mismatch(          3,NofMyHomog), source=0.0_pReal)
 
 !--------------------------------------------------------------------------------------------------
 ! assigning cluster orientations

src/source_damage_isoBrittle.f90

@@ -12,8 +12,7 @@ submodule(constitutive:constitutive_damage) source_damage_isoBrittle
 
   type :: tParameters                                                                               !< container type for internal constitutive parameters
     real(pReal) :: &
-      critStrainEnergy, &                                                                           !< critical elastic strain energy
+      W_crit                                                                                        !< critical elastic strain energy
-      N                              
     character(len=pStringLen), allocatable, dimension(:) :: &
       output
   end type tParameters
@@ -64,8 +63,7 @@ module function source_damage_isoBrittle_init(source_length) result(mySources)
         associate(prm  => param(source_damage_isoBrittle_instance(p)))
         src => sources%get(sourceOffset) 
 
-        prm%N                = src%get_asFloat('m')
+        prm%W_crit = src%get_asFloat('W_crit')
-        prm%critStrainEnergy = src%get_asFloat('W_crit')
 
 #if defined (__GFORTRAN__)
         prm%output = output_asStrings(src)
@@ -74,8 +72,7 @@ module function source_damage_isoBrittle_init(source_length) result(mySources)
 #endif
  
         ! sanity checks
-        if (prm%N                <= 0.0_pReal) extmsg = trim(extmsg)//' m'
+        if (prm%W_crit <= 0.0_pReal) extmsg = trim(extmsg)//' W_crit'
-        if (prm%critStrainEnergy <= 0.0_pReal) extmsg = trim(extmsg)//' W_crit'
 
         NipcMyPhase = count(material_phaseAt==p) * discretization_nIP
         call constitutive_allocateState(sourceState(p)%p(sourceOffset),NipcMyPhase,1,1,1)
@@ -125,8 +122,8 @@ module subroutine source_damage_isoBrittle_deltaState(C, Fe, ipc, ip, el)
   strain = 0.5_pReal*math_sym33to6(matmul(transpose(Fe),Fe)-math_I3)
 
   associate(prm => param(source_damage_isoBrittle_instance(phase)))
-  strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/prm%critStrainEnergy
+  strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/prm%W_crit
-  ! ToDo: check strainenergy = 2.0_pReal*dot_product(strain,matmul(C,strain))/param(instance)%critStrainEnergy
+  ! ToDo: check strainenergy = 2.0_pReal*dot_product(strain,matmul(C,strain))/prm%W_crit
 
   if (strainenergy > sourceState(phase)%p(sourceOffset)%subState0(1,constituent)) then
     sourceState(phase)%p(sourceOffset)%deltaState(1,constituent) = &
@@ -161,10 +158,9 @@ module subroutine source_damage_isoBrittle_getRateAndItsTangent(localphiDot, dLo
   sourceOffset = source_damage_isoBrittle_offset(phase)
 
   associate(prm => param(source_damage_isoBrittle_instance(phase)))
-  localphiDot = (1.0_pReal - phi)**(prm%n - 1.0_pReal) &
+  localphiDot = 1.0_pReal &
               - phi*sourceState(phase)%p(sourceOffset)%state(1,constituent)
-  dLocalphiDot_dPhi = - (prm%n - 1.0_pReal)* (1.0_pReal - phi)**max(0.0_pReal,prm%n - 2.0_pReal) &
+  dLocalphiDot_dPhi = - sourceState(phase)%p(sourceOffset)%state(1,constituent)
-                      - sourceState(phase)%p(sourceOffset)%state(1,constituent)
   end associate
 
 end subroutine source_damage_isoBrittle_getRateAndItsTangent