Merge remote-tracking branch 'origin/development' into development

VERSION

@@ -1 +1 @@
-v2.0.1-909-g9e502c7
+v2.0.1-924-ge1bfde9

examples/ConfigFiles/Phase_Isotropic_FreeSurface.config

@@ -0,0 +1,25 @@
+[Air]
+
+## Isotropic Material model to simulate free surfaces ##
+## For more information see paper Maiti+Eisenlohr2018, Scripta Materialia, 
+## "Fourier-based spectral method solution to finite strain crystal plasticity with free surfaces"
+
+elasticity              hooke
+plasticity              isotropic
+
+/dilatation/
+
+(output)                flowstress
+(output)                strainrate
+
+lattice_structure       isotropic
+c11                     110.9e9
+c12                     0.0
+taylorfactor            3
+tau0                    31e6
+gdot0                   0.001
+n                       20
+h0                      75e6
+tausat                  63e6
+w0                      2.25
+atol_resistance         1

processing/post/addSpectralDecomposition.py

@@ -22,7 +22,13 @@ parser.add_option('-t','--tensor',
                   dest = 'tensor',
                   action = 'extend', metavar = '<string LIST>',
                   help = 'heading of columns containing tensor field values')
+parser.add_option('--no-check',
+                  dest = 'rh',
+                  action = 'store_false',
+                  help = 'skip check for right-handed eigenvector basis')
 
+parser.set_defaults(rh = True,
+                    )
 (options,filenames) = parser.parse_args()
 
 if options.tensor is None:
@@ -57,8 +63,10 @@ for name in filenames:
       if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type))
       else:
         items[type]['column'].append(table.label_index(what))
-        table.labels_append(['{}_eigval({})'.format(i+1,what) for i in range(3)])                   # extend ASCII header with new labels
+        for order in ['Min','Mid','Max']:
-        table.labels_append(['{}_eigvec({})'.format(i+1,what) for i in range(9)])                   # extend ASCII header with new labels
+          table.labels_append(['eigval{}({})'.format(order,what)])                                         # extend ASCII header with new labels
+        for order in ['Min','Mid','Max']:
+          table.labels_append(['{}_eigvec{}({})'.format(i+1,order,what) for i in range(3)])                # extend ASCII header with new labels
 
   if remarks != []: damask.util.croak(remarks)
   if errors  != []:
@@ -78,10 +86,10 @@ for name in filenames:
     for type, data in items.iteritems():
       for column in data['column']:
         (u,v) = np.linalg.eigh(np.array(map(float,table.data[column:column+data['dim']])).reshape(data['shape']))
-        if np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0                         # ensure right-handed coordinate system
+        if options.rh and np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0          # ensure right-handed eigenvector basis
-        table.data_append(list(u))
+        table.data_append(list(u))                                                                  # vector of max,mid,min eigval
-        table.data_append(list(v.transpose().reshape(data['dim'])))
+        table.data_append(list(v.transpose().reshape(data['dim'])))                                 # 3x3=9 combo vector of max,mid,min eigvec coordinates
-    outputAlive = table.data_write()                                                                # output processed line
+    outputAlive = table.data_write()                                                                # output processed line in accordance with column labeling
 
 # ------------------------------------------ output finalization -----------------------------------
 

src/IO.f90

@@ -1581,7 +1581,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
  case (601_pInt)
    msg = 'Ping-Pong needed when using non-local plasticity'
  case (602_pInt)
-   msg = 'invalid element/IP/component (grain) selected for debug'
+   msg = 'invalid selection for debug'
 
 !-------------------------------------------------------------------------------------------------
 ! DAMASK_marc errors

src/homogenization.f90

@@ -471,7 +471,7 @@ subroutine homogenization_init
  flush(6)
 
  if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) &
-   call IO_error(602_pInt,ext_msg='component (grain)')
+   call IO_error(602_pInt,ext_msg='component (grain)', el=debug_e, g=debug_g)
 
 end subroutine homogenization_init
 

src/math.f90

@@ -3,7 +3,7 @@
 !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
 !> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
 !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
-!> @brief Mathematical library, including random number generation and tensor represenations
+!> @brief Mathematical library, including random number generation and tensor representations
 !--------------------------------------------------------------------------------------------------
 module math
  use prec, only: &
@@ -173,10 +173,8 @@ contains
 subroutine math_init
 
  use, intrinsic :: iso_fortran_env                                                                  ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
- use prec,     only: tol_math_check
+ use numerics, only: fixedSeed
- use numerics, only: &
+ use IO,       only: IO_timeStamp
-   fixedSeed
- use IO,       only: IO_error, IO_timeStamp
 
  implicit none
  integer(pInt) :: i
@@ -226,12 +224,10 @@ end subroutine math_init
 !--------------------------------------------------------------------------------------------------
 subroutine math_check
 
- use, intrinsic :: iso_fortran_env                                                                  ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
  use prec,     only: tol_math_check
- use numerics, only: &
+ use IO,       only: IO_error
-   fixedSeed
- use IO,       only: IO_error, IO_timeStamp
 
+ implicit none
  character(len=64) :: error_msg
 
  real(pReal), dimension(3,3) :: R,R2
@@ -373,7 +369,7 @@ end subroutine math_qsort
 
 !--------------------------------------------------------------------------------------------------
 !> @brief vector expansion
-!> @details takes a set of numbers (a,b,c,...) and corresponding multipliers (x,y,z,...)
+!> @details takes a set of numbers (a,b,c,...) and corresponding multiples (x,y,z,...)
 !> to return a vector of x times a, y times b, z times c, ... 
 !--------------------------------------------------------------------------------------------------
 pure function math_expand(what,how)
@@ -382,14 +378,10 @@ pure function math_expand(what,how)
  real(pReal),   dimension(:), intent(in) :: what
  integer(pInt), dimension(:), intent(in) :: how
  real(pReal), dimension(sum(how)) ::  math_expand
- integer(pInt) :: i,j,o
+ integer(pInt) :: i
 
- o = 0_pInt
+ do i = 1_pInt, size(how)
- do i = 1, size(how)
+   math_expand(sum(how(1:i-1))+1:sum(how(1:i))) = what(mod(i-1_pInt,size(what))+1_pInt)
-   do j = 1, how(i)
-     o = o + 1_pInt
-     math_expand(o) = what(1+mod(i-1,size(what)))
-   enddo 
  enddo
 
 end function math_expand
@@ -709,22 +701,20 @@ end function math_mul66x6
 pure function math_exp33(A,n)
 
  implicit none
- integer(pInt) :: i,order
+ integer(pInt) :: i
  integer(pInt), intent(in), optional :: n
  real(pReal), dimension(3,3), intent(in) :: A
  real(pReal), dimension(3,3) :: B, math_exp33
- real(pReal) :: invfac
+ real(pReal) :: invFac
-
- order = merge(n,5_pInt,present(n))
 
  B = math_I3                                                                                        ! init
- invfac = 1.0_pReal                                                                                 ! 0!
+ invFac = 1.0_pReal                                                                                 ! 0!
  math_exp33 = B                                                                                     ! A^0 = eye2
 
- do i = 1_pInt,n
+ do i = 1_pInt, merge(n,5_pInt,present(n))
-   invfac = invfac/real(i,pReal)                                                                    ! invfac = 1/i!
+   invFac = invFac/real(i,pReal)                                                                    ! invfac = 1/i!
    B = math_mul33x33(B,A)
-   math_exp33 = math_exp33 + invfac*B                                                               ! exp = SUM (A^i)/i!
+   math_exp33 = math_exp33 + invFac*B                                                               ! exp = SUM (A^i)/i!
  enddo
 
 end function math_exp33