Merge branch 'general-N_constituents' into 'development'

Mandatory N_constituents

See merge request damask/DAMASK!250

PRIVATE

@@ -1 +1 @@
-Subproject commit 226ea55968c756ae1abbdf51230756bb80696cb0
+Subproject commit c92f6d3e23a4c310898b502f00e395dbe670a63c

examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.config

@@ -1,21 +0,0 @@
-# Tasan et.al. 2015 Acta Materalia
-# Tasan et.al. 2015 International Journal of Plasticity
-# Diehl et.al. 2015 Meccanica
-[BCC-Ferrite]
-
-elasticity              hooke
-plasticity              phenopowerlaw
-
-lattice_structure       bcc
-Nslip                   12  12                  # per family
-Ntwin                    0                      # per family
-c11                     233.3e9
-c12                     135.5e9
-c44                     118.0e9
-gdot0_slip              0.001
-n_slip                  20
-tau0_slip                95.e6  97.e6           # per family, optimization long simplex 109
-tausat_slip             222.e6 412.7e6          # per family, optimization long simplex 109
-h0_slipslip             1000.0e6
-interaction_slipslip    1 1 1.4 1.4 1.4 1.4
-a_slip                 2.0

examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.yaml

@@ -0,0 +1,16 @@
+# Tasan et.al. 2015 Acta Materalia
+# Tasan et.al. 2015 International Journal of Plasticity
+# Diehl et.al. 2015 Meccanica
+Ferrite:
+  elasticity: {C_11: 233.3e9, C_12: 135.5e9, C_44: 118.0e9, type: hooke}
+  lattice: bcc
+  plasticity:
+    N_sl: [12, 12]
+    a_sl: 2.0
+    dot_gamma_0_sl: 0.001
+    h_0_sl_sl: 1000.0e6
+    h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
+    n_sl: 20
+    type: phenopowerlaw
+    xi_0_sl: [95.e6, 96.e6]
+    xi_inf_sl: [222.e6, 412.7e6]

examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.config

@@ -1,21 +0,0 @@
-# Tasan et.al. 2015 Acta Materalia
-# Tasan et.al. 2015 International Journal of Plasticity
-# Diehl et.al. 2015 Meccanica
-[BCC-Martensite]
-
-elasticity              hooke
-plasticity              phenopowerlaw
-
-lattice_structure       bcc
-Nslip                   12  12                  # per family
-Ntwin                    0                      # per family
-c11                     417.4e9
-c12                     242.4e9
-c44                     211.1e9
-gdot0_slip              0.001
-n_slip                  20
-tau0_slip               405.8e6  456.7e6        # per family
-tausat_slip             872.9e6  971.2e6        # per family
-h0_slipslip             563.0e9
-interaction_slipslip    1 1 1.4 1.4 1.4 1.4
-a_slip                 2.0

examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.yaml

@@ -0,0 +1,16 @@
+# Tasan et.al. 2015 Acta Materalia
+# Tasan et.al. 2015 International Journal of Plasticity
+# Diehl et.al. 2015 Meccanica
+Martensite:
+  elasticity: {C_11: 417.4e9, C_12: 242.4e9, C_44: 211.1e9, type: hooke}
+  lattice: bcc
+  plasticity:
+    N_sl: [12, 12]
+    a_sl: 2.0
+    dot_gamma_0_sl: 0.001
+    h_0_sl_sl: 563.0e9
+    h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
+    n_sl: 20
+    type: phenopowerlaw
+    xi_0_sl: [405.8e6, 456.7e6]
+    xi_inf_sl: [872.9e6, 971.2e6]

examples/FEM/polyXtal/material.yaml

@@ -1,5 +1,6 @@
 homogenization:
   SX:
+    N_constituents: 1
     mech: {type: none}
 
 phase:

examples/SpectralMethod/Polycrystal/material.yaml

@@ -1,6 +1,7 @@
 ---
 homogenization:
   SX:
+    N_constituents: 1
     mech: {type: none}
 
 material:

src/IO.f90

@@ -371,8 +371,6 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
       msg = 'write error for file:'
     case (102)
       msg = 'could not read file:'
-    case (103)
-      msg = 'could not assemble input files'
     case (106)
       msg = 'working directory does not exist:'
 
@@ -411,7 +409,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
       msg = 'not enough interaction parameters given'
 
 !--------------------------------------------------------------------------------------------------
-! errors related to the parsing of material.config
+! errors related to the parsing of material.yaml
     case (140)
       msg = 'key not found'
     case (141)

src/homogenization_mech_RGC.f90

@@ -165,7 +165,7 @@ module subroutine mech_RGC_init(num_homogMech)
 
     prm%N_constituents = homogMech%get_asInts('cluster_size',requiredSize=3)
     if (homogenization_Ngrains(h) /= product(prm%N_constituents)) &
-      call IO_error(211,ext_msg='clustersize (mech_rgc)')
+      call IO_error(211,ext_msg='N_constituents (mech_RGC)')
 
     prm%xi_alpha = homogMech%get_asFloat('xi_alpha')
     prm%c_alpha  = homogMech%get_asFloat('c_alpha')

src/homogenization_mech_isostrain.f90

@@ -51,7 +51,7 @@ module subroutine mech_isostrain_init
     homogMech => homog%get('mech')
     associate(prm => param(homogenization_typeInstance(h)))
 
-    prm%N_constituents = homogMech%get_asInt('N_constituents')
+    prm%N_constituents = homogenization_Ngrains(h)
     select case(homogMech%get_asString('mapping',defaultVal = 'sum'))
       case ('sum')
         prm%mapping = parallel_ID

src/homogenization_mech_none.f90

@@ -24,8 +24,11 @@ module subroutine mech_none_init
   print'(a,i2)', ' # instances: ',Ninstance; flush(IO_STDOUT)
 
   do h = 1, size(homogenization_type)
-    if (homogenization_type(h) /= HOMOGENIZATION_NONE_ID) cycle
+    if(homogenization_type(h) /= HOMOGENIZATION_NONE_ID) cycle
 
+    if(homogenization_Ngrains(h) /= 1) &
+      call IO_error(211,ext_msg='N_constituents (mech_none)')
+    
     NofMyHomog = count(material_homogenizationAt == h)
     homogState(h)%sizeState = 0
     allocate(homogState(h)%state0   (0,NofMyHomog))

src/material.f90

@@ -256,16 +256,14 @@ subroutine material_parseHomogenization
   do h=1, material_Nhomogenization
     homog => material_homogenization%get(h)
     homogMech => homog%get('mech')
+    homogenization_Ngrains(h) = homog%get_asInt('N_constituents')
     select case (homogMech%get_asString('type'))
       case('none')
         homogenization_type(h) = HOMOGENIZATION_NONE_ID
-        homogenization_Ngrains(h) = 1
       case('isostrain')
         homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
-        homogenization_Ngrains(h) = homogMech%get_asInt('N_constituents')
       case('RGC')
         homogenization_type(h) = HOMOGENIZATION_RGC_ID
-        homogenization_Ngrains(h) = homogMech%get_asInt('N_constituents')
       case default
         call IO_error(500,ext_msg=homogMech%get_asString('type'))
     end select

src/rotations.f90

@@ -737,13 +737,13 @@ pure function eu2om(eu) result(om)
   s = sin(eu)
 
   om(1,1) =  c(1)*c(3)-s(1)*s(3)*c(2)
-  om(1,2) =  s(1)*c(3)+c(1)*s(3)*c(2)
-  om(1,3) =  s(3)*s(2)
   om(2,1) = -c(1)*s(3)-s(1)*c(3)*c(2)
-  om(2,2) = -s(1)*s(3)+c(1)*c(3)*c(2)
-  om(2,3) =  c(3)*s(2)
   om(3,1) =  s(1)*s(2)
+  om(1,2) =  s(1)*c(3)+c(1)*s(3)*c(2)
+  om(2,2) = -s(1)*s(3)+c(1)*c(3)*c(2)
   om(3,2) = -c(1)*s(2)
+  om(1,3) =  s(3)*s(2)
+  om(2,3) =  c(3)*s(2)
   om(3,3) =  c(2)
 
   where(abs(om)<1.0e-12_pReal) om = 0.0_pReal