Merge branch 'orientationClass_with_negative_P' of magit1.mpie.de:damask/DAMASK into orientationClass_with_negative_P

.gitlab-ci.yml

@@ -158,12 +158,12 @@ Post_AverageDown:
     - master
     - release
 
-Post_General:
-  stage: postprocessing
-  script: PostProcessing/test.py
-  except:
-    - master
-    - release
+#Post_General:
+#  stage: postprocessing
+#  script: PostProcessing/test.py
+#  except:
+#    - master
+#    - release
 
 Post_GeometryReconstruction:
   stage: postprocessing

processing/pre/hybridIA_linODFsampling.py

@@ -244,7 +244,7 @@ for name in filenames:
     continue
   damask.util.report(scriptName,name)
 
-  randomSeed = int(os.urandom(4).encode('hex'), 16)  if options.randomSeed is None else options.randomSeed         # random seed per file for second phase
+  randomSeed = int(os.urandom(4).hex(), 16)  if options.randomSeed is None else options.randomSeed         # random seed per file for second phase
   random.seed(randomSeed)
 
 # ------------------------------------------ read header and data ---------------------------------

src/IO.f90

@@ -191,7 +191,9 @@ recursive function IO_recursiveRead(fileName,cnt) result(fileContent)
     l,i, &
     myStat
 
-  if (merge(cnt,0_pInt,present(cnt))>10_pInt) call IO_error(106_pInt,ext_msg=trim(fileName))
+  if (present(cnt)) then
+    if (cnt>10_pInt) call IO_error(106_pInt,ext_msg=trim(fileName))
+  endif
 
 !--------------------------------------------------------------------------------------------------
 ! read data as stream
@@ -684,7 +686,11 @@ function IO_stringValue(string,chunkPos,myChunk,silent)
 
  logical                                                  :: warn
 
- warn = merge(silent,.false.,present(silent))
+ if (present(silent)) then
+   warn = silent
+ else
+   warn = .false.
+ endif
 
  IO_stringValue = ''
  valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1_pInt) then

src/config.f90

@@ -513,8 +513,12 @@ character(len=65536) function getString(this,key,defaultVal,raw)
  type(tPartitionedStringList),  pointer                      :: item
  logical                                                     :: found, &
                                                                 whole
+ if (present(raw)) then
+   whole = raw
+ else
+   whole = .false.
+ endif
 
- whole = merge(raw,.false.,present(raw))                                                            ! whole string or white space splitting
  found = present(defaultVal)
  if (found) then
    getString = trim(defaultVal)
@@ -661,7 +665,11 @@ function getStrings(this,key,defaultVal,requiredShape,raw)
                                                              cumulative
 
  cumulative = (key(1:1) == '(' .and. key(len_trim(key):len_trim(key)) == ')')
- whole = merge(raw,.false.,present(raw))
+ if (present(raw)) then
+   whole = raw
+ else
+   whole = .false.
+ endif
  found = .false.
 
  item => this

src/kinematics_thermal_expansion.f90

@@ -225,7 +225,7 @@ subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar3333, ipc,
              + lattice_thermalExpansion33(1:3,1:3,2,phase)*(T - TRef)**1 &                           ! linear    coefficient
              + lattice_thermalExpansion33(1:3,1:3,3,phase)*(T - TRef)**2 &                           ! quadratic coefficient
              ) / &
-      (1.0_pReal \
+      (1.0_pReal &
             + lattice_thermalExpansion33(1:3,1:3,1,phase)*(T - TRef)**1 / 1. &
             + lattice_thermalExpansion33(1:3,1:3,2,phase)*(T - TRef)**2 / 2. &
             + lattice_thermalExpansion33(1:3,1:3,3,phase)*(T - TRef)**3 / 3. &

src/math.f90

@@ -2625,12 +2625,9 @@ real(pReal) pure function math_clip(a, left, right)
  real(pReal), intent(in) :: a
  real(pReal), intent(in), optional :: left, right
 
-   
- math_clip = min ( &
-                   max (merge(left, -huge(a), present(left)), a), &
-                        merge(right, huge(a), present(right)) &
-                  )
-
+ math_clip = a
+ if (present(left))   math_clip = max(left,math_clip)
+ if (present(right))  math_clip = min(right,math_clip)
  if (present(left) .and. present(right)) &
    math_clip = merge (IEEE_value(1.0_pReal,IEEE_quiet_NaN),math_clip, left>right)
 

src/spectral_damage.f90

@@ -120,8 +120,8 @@ subroutine spectral_damage_init()
      trim(snes_type) == 'vinewtonssls') then
    call DMGetGlobalVector(damage_grid,lBound,ierr); CHKERRQ(ierr)
    call DMGetGlobalVector(damage_grid,uBound,ierr); CHKERRQ(ierr)
-   call VecSet(lBound,0.0,ierr); CHKERRQ(ierr)
-   call VecSet(uBound,1.0,ierr); CHKERRQ(ierr)
+   call VecSet(lBound,0.0_pReal,ierr); CHKERRQ(ierr)
+   call VecSet(uBound,1.0_pReal,ierr); CHKERRQ(ierr)
    call SNESVISetVariableBounds(damage_snes,lBound,uBound,ierr)                                     !< variable bounds for variational inequalities like contact mechanics, damage etc.
    call DMRestoreGlobalVector(damage_grid,lBound,ierr); CHKERRQ(ierr)
    call DMRestoreGlobalVector(damage_grid,uBound,ierr); CHKERRQ(ierr)
@@ -134,7 +134,7 @@ subroutine spectral_damage_init()
  xend = xstart + xend - 1
  yend = ystart + yend - 1
  zend = zstart + zend - 1 
- call VecSet(solution,1.0,ierr); CHKERRQ(ierr)
+ call VecSet(solution,1.0_pReal,ierr); CHKERRQ(ierr)
  allocate(damage_current(grid(1),grid(2),grid3), source=1.0_pReal)
  allocate(damage_lastInc(grid(1),grid(2),grid3), source=1.0_pReal)
  allocate(damage_stagInc(grid(1),grid(2),grid3), source=1.0_pReal)