Merge branch 'development' into consistent-naming

VERSION

@@ -1 +1 @@
-v3.0.0-alpha-594-g46e5023f8
+v3.0.0-alpha-609-g657d7b06b

env/CONFIG

@@ -2,4 +2,4 @@
 set DAMASK_NUM_THREADS  = 4
 
 set MSC_ROOT            = /opt/msc
-set MARC_VERSION        = 2019.1
+set MSC_VERSION         = 2019.1

installation/mods_MarcMentat/apply_DAMASK_modifications.py

@@ -7,7 +7,7 @@ from pathlib import Path
 
 import damask
 
-marc_version = float(damask.environment.options['MARC_VERSION'])
+marc_version = float(damask.environment.options['MSC_VERSION'])
 if int(marc_version) == marc_version:
     marc_version = int(marc_version)
 msc_root     = Path(damask.environment.options['MSC_ROOT'])
@@ -15,7 +15,7 @@ damask_root  = damask.environment.root_dir
 
 parser = argparse.ArgumentParser(
      description='Apply DAMASK modification to MSC.Marc/Mentat',
-     epilog = f'MSC_ROOT={msc_root} and MARC_VERSION={marc_version} (from {damask_root}/env/CONFIG)')
+     epilog = f'MSC_ROOT={msc_root} and MSC_VERSION={marc_version} (from {damask_root}/env/CONFIG)')
 parser.add_argument('--editor', dest='editor', metavar='string', default='vi',
                     help='Name of the editor for MSC.Mentat (executable)')
 
@@ -23,7 +23,7 @@ parser.add_argument('--editor', dest='editor', metavar='string', default='vi',
 def copy_and_replace(in_file,dst):
     with open(in_file) as f:
         content = f.read()
-    content = content.replace('%INSTALLDIR%',msc_root)
+    content = content.replace('%INSTALLDIR%',str(msc_root))
     content = content.replace('%VERSION%',str(marc_version))
     content = content.replace('%EDITOR%', parser.parse_args().editor)
     with open(dst/Path(in_file).name,'w') as f:

python/damask/_environment.py

@@ -32,7 +32,7 @@ class Environment:
         options = {}
         for item in ['DAMASK_NUM_THREADS',
                      'MSC_ROOT',
-                     'MARC_VERSION',
+                     'MSC_VERSION',
                      ]:
             options[item] = os.environ[item] if item in os.environ else None
 

python/damask/solver/_marc.py

@@ -8,7 +8,7 @@ from .. import environment
 class Marc:
     """Wrapper to run DAMASK with MSCMarc."""
 
-    def __init__(self,version=environment.options['MARC_VERSION']):
+    def __init__(self,version=environment.options['MSC_VERSION']):
         """
         Create a Marc solver object.
 

src/crystallite.f90

@@ -315,7 +315,6 @@ function crystallite_stress()
     c, &                                                                                            !< counter in integration point component loop
     i, &                                                                                            !< counter in integration point loop
     e, &                                                                                            !< counter in element loop
-    startIP, endIP, &
     s
   logical, dimension(homogenization_maxNconstituents,discretization_nIPs,discretization_Nelems) :: todo     !ToDo: need to set some values to false for different Ngrains
   real(pReal),               dimension(:,:,:,:,:),    allocatable :: &
@@ -356,17 +355,8 @@ function crystallite_stress()
   enddo elementLooping1
   !$OMP END PARALLEL DO
 
-  singleRun: if (FEsolving_execELem(1) == FEsolving_execElem(2) .and. &
-                 FEsolving_execIP  (1) == FEsolving_execIP  (2)) then
-    startIP = FEsolving_execIP(1)
-    endIP   = startIP
-  else singleRun
-    startIP = 1
-    endIP   = discretization_nIPs
-  endif singleRun
-
   NiterationCrystallite = 0
-  cutbackLooping: do while (any(todo(:,startIP:endIP,FEsolving_execELem(1):FEsolving_execElem(2))))
+  cutbackLooping: do while (any(todo(:,FEsolving_execIP(1):FEsolving_execIP(2),FEsolving_execELem(1):FEsolving_execElem(2))))
     NiterationCrystallite = NiterationCrystallite + 1
 
 #ifdef DEBUG
@@ -428,9 +418,9 @@ function crystallite_stress()
             crystallite_subF(1:3,1:3,c,i,e) = crystallite_subF0(1:3,1:3,c,i,e) &
                                             + crystallite_subStep(c,i,e) *( crystallite_partitionedF (1:3,1:3,c,i,e) &
                                                                            -crystallite_partitionedF0(1:3,1:3,c,i,e))
-            crystallite_Fe(1:3,1:3,c,i,e) = matmul(matmul(crystallite_subF(1:3,1:3,c,i,e), &
+            crystallite_Fe(1:3,1:3,c,i,e) = matmul(crystallite_subF(1:3,1:3,c,i,e), &
-                                                          math_inv33(crystallite_Fp(1:3,1:3,c,i,e))), &
+                                                   math_inv33(matmul(crystallite_Fi(1:3,1:3,c,i,e), &
-                                                   math_inv33(crystallite_Fi(1:3,1:3,c,i,e)))
+                                                                     crystallite_Fp(1:3,1:3,c,i,e))))
             crystallite_subdt(c,i,e) = crystallite_subStep(c,i,e) * crystallite_dt(c,i,e)
             crystallite_converged(c,i,e) = .false.
             call integrateState(c,i,e)