specify solver,initial and boundary conditions in load file

PRIVATE

@@ -1 +1 @@
-Subproject commit 2b3f72505785d717860ab0012da8bc21c7fb61ed
+Subproject commit 1c2dd13c9aea21d341e579fe66e4bef5c48ce07e

examples/SpectralMethod/Polycrystal/shearXY.yaml

@@ -1,9 +1,18 @@
-step:
+---
-  - mechanics:
+
-      dot_F: [0,    0, 0,
+solver:
-              1e-3, 0, 0,
+  mechanical: spectral_basic
-              0,    0, 0]
+
+initial_conditions:
+  T: 300  #in Kelvin
+
+loadstep:
+  - boundary_conditions:
+      mechanical:
+        dot_F: [0,    0, 0,
+                1e-3, 0, 0,
+                0,    0, 0]
     discretization:
       t: 60
       N: 120
-      f_out: 20
+    f_out: 20

examples/SpectralMethod/Polycrystal/shearZX.yaml

@@ -1,10 +1,18 @@
 ---
-step:
+
-  - mechanics:
+solver:
-      dot_F: [0, 0, 1e-3,
+  mechanical: spectral_basic
-              0, 0,    0,
+
-              0, 0,    0]
+initial_conditions:
+  T: 300  #in Kelvin
+
+loadstep:
+  - boundary_conditions:
+      mechanical:
+        dot_F: [0, 0, 1e-3,
+                0, 0,    0,
+                0, 0,    0]
     discretization:
       t: 60
       N: 120
-      f_out: 20
+    f_out: 20

examples/SpectralMethod/Polycrystal/tensionX.yaml

@@ -1,25 +1,33 @@
 ---
 
-step:
+solver:
-  - mechanics:
+  mechanical: spectral_basic
-      dot_F: [1.0e-3, 0, 0,
+
-              0,      x, 0,
+initial_conditions:
-              0,      0, x]
+  T: 300  #in Kelvin
-      P: [x, x, x,
+
-          x, 0, x,
+loadstep:
-          x, x, 0]
+  - boundary_conditions:
+      mechanical:
+        dot_F: [1.0e-3, 0, 0,
+                0,      x, 0,
+                0,      0, x]
+        P: [x, x, x,
+            x, 0, x,
+            x, x, 0]
     discretization:
       t: 10
       N: 40
-      f_out: 4
+    f_out: 4
-  - mechanics:
+  - boundary_conditions:
-      dot_F: [1.0e-3, 0, 0,
+      mechanical:
-              0,      x, 0,
+        dot_F: [1.0e-3, 0, 0,
-              0,      0, x]
+                0,      x, 0,
-      P: [x, x, x,
+                0,      0, x]
-          x, 0, x,
+        P: [x, x, x,
-          x, x, 0]
+            x, 0, x,
+            x, x, 0]
     discretization:
       t: 60
       N: 60
-      f_out: 4
+    f_out: 4

src/grid/DAMASK_grid.f90

@@ -102,6 +102,7 @@ program DAMASK_grid
     config_load, &
     load_steps, &
     load_step, &
+    step_bc, &
     step_mech, &
     step_discretization, &
     step_deformation, &
@@ -168,7 +169,7 @@ program DAMASK_grid
 ! reading information from load case file and to sanity checks
   config_load => YAML_parse_file(trim(interface_loadFile))
 
-  load_steps => config_load%get('step')
+  load_steps => config_load%get('loadstep')
   allocate(loadCases(load_steps%length))                                                            ! array of load cases
 
   do l = 1, load_steps%length
@@ -186,8 +187,8 @@ program DAMASK_grid
     endif damageActive
 
     load_step => load_steps%get(l)
-
+    step_bc   => load_step%get('boundary_conditions')
-    step_mech => load_step%get('mechanics')
+    step_mech => step_bc%get('mechanical')
     loadCases(l)%stress%myType=''
     readMech: do m = 1, step_mech%length
       select case (step_mech%getKey(m))
@@ -224,9 +225,9 @@ program DAMASK_grid
     loadCases(l)%t         = step_discretization%get_asFloat('t')
     loadCases(l)%N         = step_discretization%get_asInt  ('N')
     loadCases(l)%r         = step_discretization%get_asFloat('r',         defaultVal= 1.0_pReal)
-    loadCases(l)%f_out     = step_discretization%get_asInt  ('f_out',     defaultVal=1)
     loadCases(l)%f_restart = step_discretization%get_asInt  ('f_restart', defaultVal=huge(0))
 
+    loadCases(l)%f_out     = load_step%get_asInt('f_out',     defaultVal=1)
     loadCases(l)%drop_guessing = (.not. load_step%get_asBool('estimate_rate',defaultVal=.true.) .or. &  !ToDO: SR: simplify logic later,change name
                                                        merge(.false.,.true.,l > 1))