223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

cleaned + shortened, fixed handling of optional order parameter in math_exp33

This commit is contained in:
Martin Diehl 2017-09-19 23:39:19 +02:00
parent fe4952b100
commit d8d42c32e7
1 changed files with 21 additions and 31 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

52
src/math.f90
View File

@ -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
@ -373,23 +369,19 @@ 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)
implicit none implicit none
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