Math improvements
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src/math.f90
28
src/math.f90
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@ -27,8 +27,10 @@ module math
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#if __INTEL_COMPILER >= 1900
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#if __INTEL_COMPILER >= 1900
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! do not make use of associated entities available to other modules
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! do not make use of associated entities available to other modules
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private :: &
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private :: &
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misc, &
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IO, &
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IO, &
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config
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config, &
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parallelization
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#endif
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#endif
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real(pREAL), parameter :: &
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real(pREAL), parameter :: &
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@ -38,11 +40,11 @@ module math
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INRAD = TAU/360.0_pREAL !< conversion from degree to radian
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INRAD = TAU/360.0_pREAL !< conversion from degree to radian
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real(pREAL), dimension(3,3), parameter :: &
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real(pREAL), dimension(3,3), parameter :: &
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math_I3 = reshape([&
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math_I3 = real(reshape([&
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1.0_pREAL,0.0_pREAL,0.0_pREAL, &
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1, 0, 0, &
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0.0_pREAL,1.0_pREAL,0.0_pREAL, &
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0, 1, 0, &
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0.0_pREAL,0.0_pREAL,1.0_pREAL &
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0, 0, 1 &
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],shape(math_I3)) !< 3x3 Identity
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],shape(math_I3)),pREAL) !< 3x3 Identity
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real(pREAL), dimension(*), parameter, private :: &
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real(pREAL), dimension(*), parameter, private :: &
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NRMMANDEL = [1.0_pREAL, 1.0_pREAL,1.0_pREAL, sqrt(2.0_pREAL), sqrt(2.0_pREAL), sqrt(2.0_pREAL)] !< forward weighting for Mandel notation
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NRMMANDEL = [1.0_pREAL, 1.0_pREAL,1.0_pREAL, sqrt(2.0_pREAL), sqrt(2.0_pREAL), sqrt(2.0_pREAL)] !< forward weighting for Mandel notation
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@ -83,9 +85,6 @@ module math
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3,3 &
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3,3 &
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],shape(MAPPLAIN)) !< arrangement in Plain notation
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],shape(MAPPLAIN)) !< arrangement in Plain notation
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!---------------------------------------------------------------------------------------------------
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private :: &
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selfTest
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contains
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contains
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@ -109,20 +108,21 @@ subroutine math_init()
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allocate(seed(randSize))
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allocate(seed(randSize))
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if (num_generic%contains('random_seed')) then
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if (num_generic%contains('random_seed')) then
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seed = num_generic%get_as1dInt('random_seed',requiredSize=randSize)
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seed = num_generic%get_as1dInt('random_seed',requiredSize=randSize) &
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+ worldrank*42_MPI_INTEGER_KIND
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else
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else
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call random_seed()
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call random_seed()
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call random_seed(get = seed)
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call random_seed(get = seed)
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end if
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end if
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call random_seed(put = seed + worldrank*42_MPI_INTEGER_KIND)
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call random_seed(put = seed)
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call random_number(randTest)
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call random_number(randTest)
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print'(/,a,i2)', ' size of random seed: ', randSize
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print'(/,a,i2)', ' size of random seed: ', randSize
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print*, 'value of random seed: ', seed
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print*, 'value of random seed: ', seed
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print'( a,4(/,26x,f17.14))', ' start of random sequence: ', randTest
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print'( a,4(/,26x,f17.14))', ' start of random sequence: ', randTest
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call selfTest()
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call math_selfTest()
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end subroutine math_init
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end subroutine math_init
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@ -1275,7 +1275,7 @@ end function math_clip
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief Check correctness of some math functions.
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!> @brief Check correctness of some math functions.
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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subroutine selfTest()
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subroutine math_selfTest()
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integer, dimension(2,4) :: &
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integer, dimension(2,4) :: &
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sort_in_ = reshape([+1,+5, +5,+6, -1,-1, +3,-2],[2,4])
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sort_in_ = reshape([+1,+5, +5,+6, -1,-1, +3,-2],[2,4])
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@ -1447,6 +1447,6 @@ subroutine selfTest()
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error stop 'math_normal(sigma)'
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error stop 'math_normal(sigma)'
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end block normal_distribution
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end block normal_distribution
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end subroutine selfTest
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end subroutine math_selfTest
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end module math
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end module math
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@ -5,51 +5,56 @@ program DAMASK_test
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use IO
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use IO
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use test_prec
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use test_prec
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use test_crystal
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use test_IO
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use test_rotations
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use test_misc
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use test_misc
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use test_math
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use test_tables
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use test_tables
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use test_crystal
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use test_rotations
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use test_IO
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use test_HDF5_utilities
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use test_HDF5_utilities
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external :: quit
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external :: quit
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character(len=*), parameter :: &
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character(len=*), parameter :: &
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tab = '19', &
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ok = achar(27)//'[32mok'//achar(27)//'[0m', &
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ok = achar(27)//'[32mok'//achar(27)//'[0m'
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fmt = '(3x,a,T19,a,1x)'
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call parallelization_init()
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call parallelization_init()
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call HDF5_utilities_init()
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call HDF5_utilities_init()
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write(IO_STDOUT,fmt='(/,1x,a,/)') achar(27)//'[1m'//'testing'//achar(27)//'[0m'
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write(IO_STDOUT,fmt='(/,1x,a,/)') achar(27)//'[1m'//'testing'//achar(27)//'[0m'
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write(IO_STDOUT,fmt='(3x,a,T'//tab//',a)', advance='no') 'prec','...'
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write(IO_STDOUT,fmt=fmt, advance='no') 'prec','...'
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call test_prec_run()
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call test_prec_run()
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write(IO_STDOUT,fmt='(1x,a)') ok
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write(IO_STDOUT,fmt='(a)') ok
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write(IO_STDOUT,fmt='(3x,a,T'//tab//',a)', advance='no') 'tables','...'
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write(IO_STDOUT,fmt=fmt, advance='no') 'misc','...'
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call test_tables_run()
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write(IO_STDOUT,fmt='(1x,a)') ok
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write(IO_STDOUT,fmt='(3x,a,T'//tab//',a)', advance='no') 'crystal','...'
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call test_crystal_run()
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write(IO_STDOUT,fmt='(1x,a)') ok
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write(IO_STDOUT,fmt='(3x,a,T'//tab//',a)', advance='no') 'rotations','...'
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call test_rotations_run()
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write(IO_STDOUT,fmt='(1x,a)') ok
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write(IO_STDOUT,fmt='(3x,a,T'//tab//',a)', advance='no') 'IO','...'
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call test_IO_run()
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write(IO_STDOUT,fmt='(1x,a)') ok
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write(IO_STDOUT,fmt='(3x,a,T'//tab//',a)', advance='no') 'misc','...'
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call test_misc_run()
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call test_misc_run()
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write(IO_STDOUT,fmt='(1x,a)') ok
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write(IO_STDOUT,fmt='(a)') ok
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write(IO_STDOUT,fmt='(3x,a,T'//tab//',a)', advance='no') 'HDF5_utilities','...'
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write(IO_STDOUT,fmt=fmt, advance='no') 'math','...'
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call test_math_run()
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write(IO_STDOUT,fmt='(a)') ok
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write(IO_STDOUT,fmt=fmt, advance='no') 'tables','...'
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call test_tables_run()
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write(IO_STDOUT,fmt='(a)') ok
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write(IO_STDOUT,fmt=fmt, advance='no') 'crystal','...'
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call test_crystal_run()
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write(IO_STDOUT,fmt='(a)') ok
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write(IO_STDOUT,fmt=fmt, advance='no') 'rotations','...'
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call test_rotations_run()
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write(IO_STDOUT,fmt='(a)') ok
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write(IO_STDOUT,fmt=fmt, advance='no') 'IO','...'
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call test_IO_run()
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write(IO_STDOUT,fmt='(a)') ok
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write(IO_STDOUT,fmt=fmt, advance='no') 'HDF5_utilities','...'
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call test_HDF5_utilities_run()
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call test_HDF5_utilities_run()
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write(IO_STDOUT,fmt='(1x,a)') ok
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write(IO_STDOUT,fmt='(a)') ok
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call quit(0)
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call quit(0)
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@ -0,0 +1,17 @@
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module test_math
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use math
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implicit none(type,external)
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private
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public :: test_math_run
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contains
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subroutine test_math_run()
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call math_selfTest()
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end subroutine test_math_run
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end module test_math
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