From d96780967bb44b606a79205ad07fd97425390943 Mon Sep 17 00:00:00 2001
From: Christoph	Kords <c.kords@mpie.de>
Date: Tue, 18 May 2010 07:57:13 +0000
Subject: [PATCH] added some output variables in crystallite: F, Fe, Fp, Ee, P,
 S

---
 code/crystallite.f90 | 36 ++++++++++++++++++++++++++++++------
 code/material.config |  9 +++++++--
 2 files changed, 37 insertions(+), 8 deletions(-)

diff --git a/code/crystallite.f90 b/code/crystallite.f90
index 408a22445..838ac6a0b 100644
--- a/code/crystallite.f90
+++ b/code/crystallite.f90
@@ -226,7 +226,7 @@ subroutine crystallite_init(Temperature)
          mySize = 3
        case('grainrotation') ! Deviation from initial grain orientation in axis-angle form (angle in degrees)
          mySize = 4
-       case('defgrad')
+       case('defgrad','f','fe','fp','ee','p','firstpiola','1stpiola','s','tstar','secondpiola','2ndpiola')
          mySize = 9
        case default
          mySize = 0      
@@ -1671,7 +1671,10 @@ function crystallite_postResults(&
                                       pReal
  use math, only:                      math_QuaternionToEuler, &
                                       math_QuaternionToAxisAngle, &
-                                      inDeg
+                                      math_mul33x33, &
+                                      math_I3, &
+                                      inDeg, &
+                                      math_Mandel6to33
  use mesh, only:                      mesh_element
  use material, only:                  microstructure_crystallite, &
                                       crystallite_Noutput, &
@@ -1724,10 +1727,31 @@ function crystallite_postResults(&
          math_QuaternionToAxisAngle(crystallite_rotation(1:4,g,i,e)) ! grain rotation away from initial orientation as axis-angle 
        crystallite_postResults(c+4) = inDeg * crystallite_postResults(c+4) ! angle in degree
        c = c + 4_pInt
-     case ('defgrad')
-       forall (k=0:2,l=0:2) crystallite_postResults(c+1+k*3+l) = &
-         crystallite_partionedF(k+1,l+1,g,i,e)
-       c = c+9_pInt
+     case ('defgrad','f')
+       mySize = 9_pInt
+       crystallite_postResults(c+1:c+1+mySize) = reshape(crystallite_partionedF(:,:,g,i,e),(/mySize/))
+       c = c + mySize
+     case ('fe')
+       mySize = 9_pInt
+       crystallite_postResults(c+1:c+1+mySize) = reshape(crystallite_Fe(:,:,g,i,e),(/mySize/))
+       c = c + mySize
+     case ('ee')
+       Ee = 0.5_pReal * (math_mul33x33(transpose(crystallite_Fe(:,:,g,i,e)), crystallite_Fe(:,:,g,i,e)) - math_I3)
+       mySize = 9_pInt
+       crystallite_postResults(c+1:c+1+mySize) = reshape(Ee(:,:),(/mySize/))
+       c = c + mySize
+     case ('fp')
+       mySize = 9_pInt
+       crystallite_postResults(c+1:c+1+mySize) = reshape(crystallite_Fp(:,:,g,i,e),(/mySize/))
+       c = c + mySize
+     case ('p','firstpiola','1stpiola')
+       mySize = 9_pInt
+       crystallite_postResults(c+1:c+1+mySize) = reshape(crystallite_P(:,:,g,i,e),(/mySize/))
+       c = c + mySize
+     case ('s','tstar','secondpiola','2ndpiola')
+       mySize = 9_pInt
+       crystallite_postResults(c+1:c+1+mySize) = reshape(math_Mandel6to33(crystallite_Tstar_v(:,g,i,e)),(/mySize/))
+       c = c + mySize
    end select
  enddo
   
diff --git a/code/material.config b/code/material.config
index 25468af9c..6f4c24226 100644
--- a/code/material.config
+++ b/code/material.config
@@ -66,8 +66,13 @@ crystallite 1
 (output) volume
 (output) orientation
 (output) eulerangles
-(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4)
-(output) defgrad
+(output) grainrotation  # deviation from initial orientation as axis (1-3) and angle in degree (4)
+(output) f              # deformation gradient tensor; synonyms: "defgrad"
+(output) fe             # elastic deformation gradient tensor
+(output) fp             # plastic deformation gradient tensor
+(output) ee             # elastic strain as Green-Lagrange tensor 
+(output) p              # first Piola-Kichhoff stress tensor; synonyms: "firstpiola", "1stpiola"
+(output) s              # second Piola-Kichhoff stress tensor; synonyms: "tstar", "secondpiola", "2ndpiola"
 
 #-------------------#
 <phase>