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

This commit is contained in:
Martin Diehl 2018-08-29 08:27:15 +02:00
parent 680c9e11d4 9270d41988
commit f2acc14882
3 changed files with 51 additions and 5 deletions
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2
VERSION
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@ -1 +1 @@
v2.0.2-474-g38fd517c
v2.0.2-476-g94695f77

12
src/IO.f90
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@ -1363,12 +1363,16 @@ function IO_continuousIntValues(fileUnit,maxN,lookupName,lookupMap,lookupMaxN)
pure function IO_intOut(intToPrint)
implicit none
character(len=19) :: N_Digits ! maximum digits for 64 bit integer
character(len=40) :: IO_intOut
integer(pInt), intent(in) :: intToPrint
character(len=41) :: IO_intOut
integer(pInt) :: N_digits
character(len=19) :: width ! maximum digits for 64 bit integer
character(len=20) :: min_width ! longer for negative values
write(N_Digits, '(I19.19)') 1_pInt + int(log10(real(intToPrint)),pInt)
IO_intOut = 'I'//trim(N_Digits)//'.'//trim(N_Digits)
N_digits = 1_pInt + int(log10(real(max(abs(intToPrint),1_pInt))),pInt)
write(width, '(I19.19)') N_digits
write(min_width, '(I20.20)') N_digits + merge(1_pInt,0_pInt,intToPrint < 0_pInt)
IO_intOut = 'I'//trim(min_width)//'.'//trim(width)
end function IO_intOut

42
src/lattice.f90
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@ -111,6 +111,9 @@ module lattice
-1,-1, 0, -1, 1,-1 & ! D6
],pReal),[ 3_pInt + 3_pInt,LATTICE_fcc_Nslip]) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli
character(len=*), dimension(1), parameter, public :: LATTICE_FCC_SLIPFAMILY_NAME = &
['<0 1 -1>{1 1 1}']
real(pReal), dimension(3+3,LATTICE_fcc_Ntwin), parameter, private :: &
LATTICE_fcc_systemTwin = reshape(real( [&
-2, 1, 1, 1, 1, 1, &
@ -127,6 +130,9 @@ module lattice
-1, 1, 2, -1, 1,-1 &
],pReal),[ 3_pInt + 3_pInt,LATTICE_fcc_Ntwin]) !< Twin system <112>{111} directions. Sorted according to Eisenlohr & Hantcherli
character(len=*), dimension(1), parameter, public :: LATTICE_FCC_TWINFAMILY_NAME = &
['<-2 1 1>{1 1 1}']
real(pReal), dimension(3+3,LATTICE_fcc_Ntrans), parameter, private :: &
LATTICE_fccTohex_systemTrans = reshape(real( [&
-2, 1, 1, 1, 1, 1, &
@ -433,6 +439,10 @@ module lattice
! 1,-1, 1, 3, 2,-1 &
],pReal),[ 3_pInt + 3_pInt ,LATTICE_bcc_Nslip])
character(len=*), dimension(2), parameter, public :: LATTICE_BCC_SLIPFAMILY_NAME = &
['<1 -1 1>{0 1 1}', &
'<1 -1 1>{2 1 1}']
real(pReal), dimension(3+3,LATTICE_bcc_Ntwin), parameter, private :: &
LATTICE_bcc_systemTwin = reshape(real([&
! Twin system <111>{112}
@ -450,6 +460,9 @@ module lattice
1, 1, 1, 1, 1,-2 &
],pReal),[ 3_pInt + 3_pInt,LATTICE_bcc_Ntwin])
character(len=*), dimension(1), parameter, public :: LATTICE_BCC_TWINFAMILY_NAME = &
['<1 1 1>{2 1 1}']
real(pReal), dimension(LATTICE_bcc_Ntwin), parameter, private :: &
LATTICE_bcc_shearTwin = 0.5_pReal*sqrt(2.0_pReal)
@ -618,6 +631,14 @@ module lattice
1, 1, -2, 3, -1, -1, 2, 2 &
],pReal),[ 4_pInt + 4_pInt,LATTICE_hex_Nslip]) !< slip systems for hex sorted by A. Alankar & P. Eisenlohr
character(len=*), dimension(6), parameter, public :: LATTICE_HEX_SLIPFAMILY_NAME = &
['<1 1 . 1>{0 0 . 1} ', &
'<1 1 . 1>{1 0 . 0} ', &
'<1 0 . 0>{1 1 . 0} ', &
'<1 1 . 0>{-1 1 . 1} ', &
'<1 1 . 3>{-1 0 . 1} ', &
'<1 1 . 3>{-1 -1 . 2}']
real(pReal), dimension(4+4,LATTICE_hex_Ntwin), parameter, private :: &
LATTICE_hex_systemTwin = reshape(real([&
! Compression or Tension =f(twinning shear=f(c/a)) for each metal ! (according to Yoo 1981)
@ -650,6 +671,12 @@ module lattice
1, 1, -2, -3, 1, 1, -2, 2 &
],pReal),[ 4_pInt + 4_pInt ,LATTICE_hex_Ntwin]) !< twin systems for hex, order follows Prof. Tom Bieler's scheme; but numbering in data was restarted from 1
character(len=*), dimension(4), parameter, public :: LATTICE_HEX_TWINFAMILY_NAME = &
['<-1 0 . 1>{1 0 . 2} ', &
'<1 1 . 6>{-1 -1 . 1}', &
'<1 0 . -2>{1 0 . 1} ', &
'<1 1 . -3>{1 1 . 2} ']
integer(pInt), dimension(LATTICE_hex_Ntwin), parameter, private :: &
LATTICE_hex_shearTwin = reshape(int( [& ! indicator to formula further below
1, & ! <-10.1>{10.2}
@ -926,6 +953,21 @@ module lattice
1, 1, 1, 1,-2, 1 &
],pReal),[ 3_pInt + 3_pInt,LATTICE_bct_Nslip]) !< slip systems for bct sorted by Bieler
character(len=*), dimension(13), parameter, public :: LATTICE_BCT_SLIPFAMILY_NAME = &
['{1 0 0)<0 0 1] ', &
'{1 1 0)<0 0 1] ', &
'{1 0 0)<0 1 0] ', &
'{1 1 0)<1 -1 1]', &
'{1 1 0)<1 -1 0]', &
'{1 0 0)<0 1 1] ', &
'{0 0 1)<0 1 0] ', &
'{0 0 1)<1 1 0] ', &
'{0 1 1)<0 1 -1]', &
'{0 1 1)<1 -1 1]', &
'{0 1 1)<1 0 0] ', &
'{2 1 1)<0 1 -1]', &
'{2 1 1)<-1 1 1]']
integer(pInt), dimension(LATTICE_bct_Nslip,LATTICE_bct_Nslip), parameter, public :: &
LATTICE_bct_interactionSlipSlip = reshape(int( [&
1, 2, 3, 3, 7, 7, 13, 13, 13, 13, 21, 21, 31, 31, 31, 31, 43, 43, 57, 57, 73, 73, 73, 73, 91, 91, 91, 91, 91, 91, 91, 91, 111, 111, 111, 111, 133,133,133,133,133,133,133,133, 157,157,157,157,157,157,157,157, &