diff --git a/src/math.f90 b/src/math.f90 index 1bf903ced..82da6dfb2 100644 --- a/src/math.f90 +++ b/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 IO, only: IO_error, IO_timeStamp + use numerics, only: fixedSeed + use IO, only: 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: & - fixedSeed - use IO, only: IO_error, IO_timeStamp + use IO, only: IO_error + implicit none character(len=64) :: error_msg real(pReal), dimension(3,3) :: R,R2 @@ -268,7 +264,7 @@ subroutine math_check if ( any(abs( q-q2) > tol_math_check) .and. & any(abs(-q-q2) > tol_math_check) ) then 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) endif @@ -373,23 +369,19 @@ end subroutine math_qsort !-------------------------------------------------------------------------------------------------- !> @brief vector expansion -!> @details takes a set of numbers (a,b,c,...) and corresponding multipliers (x,y,z,...) -!> to return a vector of x times a, y times b, z times c, ... +!> @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) implicit none - real(pReal), dimension(:), intent(in) :: what - integer(pInt), dimension(:), intent(in) :: 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, size(how) - do j = 1, how(i) - o = o + 1_pInt - math_expand(o) = what(1+mod(i-1,size(what))) - enddo + do i = 1_pInt, size(how) + math_expand(sum(how(1:i-1))+1:sum(how(1:i))) = what(mod(i-1_pInt,size(what))+1_pInt) 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 - - order = merge(n,5_pInt,present(n)) + real(pReal), dimension(3,3), intent(in) :: A + real(pReal), dimension(3,3) :: B, math_exp33 + real(pReal) :: invFac 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 - invfac = invfac/real(i,pReal) ! invfac = 1/i! + do i = 1_pInt, merge(n,5_pInt,present(n)) + 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