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

This commit is contained in:
Zhuowen Zhao 2017-09-29 18:40:00 -04:00
parent 56f7836bf8 40ca9d249a
commit b66a9a3527
6 changed files with 63 additions and 40 deletions
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2
VERSION
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@ -1 +1 @@
v2.0.1-909-g9e502c7 v2.0.1-924-ge1bfde9

25
examples/ConfigFiles/Phase_Isotropic_FreeSurface.config Normal file
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@ -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

20
processing/post/addSpectralDecomposition.py
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@ -22,7 +22,13 @@ parser.add_option('-t','--tensor',
dest = 'tensor', dest = 'tensor',
action = 'extend', metavar = '<string LIST>', action = 'extend', metavar = '<string LIST>',
help = 'heading of columns containing tensor field values') 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() (options,filenames) = parser.parse_args()
if options.tensor is None: 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)) if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type))
else: else:
items[type]['column'].append(table.label_index(what)) 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 remarks != []: damask.util.croak(remarks)
if errors != []: if errors != []:
@ -78,10 +86,10 @@ for name in filenames:
for type, data in items.iteritems(): for type, data in items.iteritems():
for column in data['column']: for column in data['column']:
(u,v) = np.linalg.eigh(np.array(map(float,table.data[column:column+data['dim']])).reshape(data['shape'])) (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 ----------------------------------- # ------------------------------------------ output finalization -----------------------------------

2
src/IO.f90
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@ -1581,7 +1581,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (601_pInt) case (601_pInt)
msg = 'Ping-Pong needed when using non-local plasticity' msg = 'Ping-Pong needed when using non-local plasticity'
case (602_pInt) case (602_pInt)
msg = 'invalid element/IP/component (grain) selected for debug' msg = 'invalid selection for debug'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! DAMASK_marc errors ! DAMASK_marc errors

2
src/homogenization.f90
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@ -471,7 +471,7 @@ subroutine homogenization_init
flush(6) flush(6)
if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) & 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 end subroutine homogenization_init

44
src/math.f90
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@ -3,7 +3,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH !> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, 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 module math
use prec, only: & use prec, only: &
@ -173,10 +173,8 @@ contains
subroutine math_init 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, 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 implicit none
integer(pInt) :: i integer(pInt) :: i
@ -226,12 +224,10 @@ end subroutine math_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine math_check 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 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 character(len=64) :: error_msg
real(pReal), dimension(3,3) :: R,R2 real(pReal), dimension(3,3) :: R,R2
@ -268,7 +264,7 @@ subroutine math_check
if ( any(abs( q-q2) > tol_math_check) .and. & if ( any(abs( q-q2) > tol_math_check) .and. &
any(abs(-q-q2) > tol_math_check) ) then any(abs(-q-q2) > tol_math_check) ) then
write (error_msg, '(a,e14.6)' ) & write (error_msg, '(a,e14.6)' ) &
'quat -> euler -> quatmaximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2))) 'quat -> euler -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
call IO_error(401_pInt,ext_msg=error_msg) call IO_error(401_pInt,ext_msg=error_msg)
endif endif
@ -373,7 +369,7 @@ end subroutine math_qsort
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief vector expansion !> @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, ... !> to return a vector of x times a, y times b, z times c, ...
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function math_expand(what,how) pure function math_expand(what,how)
@ -382,14 +378,10 @@ pure function math_expand(what,how)
real(pReal), dimension(:), intent(in) :: what real(pReal), dimension(:), intent(in) :: what
integer(pInt), dimension(:), intent(in) :: how integer(pInt), dimension(:), intent(in) :: how
real(pReal), dimension(sum(how)) :: math_expand 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 enddo
end function math_expand end function math_expand
@ -709,22 +701,20 @@ end function math_mul66x6
pure function math_exp33(A,n) pure function math_exp33(A,n)
implicit none implicit none
integer(pInt) :: i,order integer(pInt) :: i
integer(pInt), intent(in), optional :: n integer(pInt), intent(in), optional :: n
real(pReal), dimension(3,3), intent(in) :: A real(pReal), dimension(3,3), intent(in) :: A
real(pReal), dimension(3,3) :: B,math_exp33 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 B = math_I3 ! init
invfac = 1.0_pReal ! 0! invFac = 1.0_pReal ! 0!
math_exp33 = B ! A^0 = eye2 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) 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 enddo
end function math_exp33 end function math_exp33