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Remove some multipole global variables
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Sterling Harper
parent
bfd6c808fe
commit
e29da0cf5b
6 changed files with 18 additions and 69 deletions
14
src/ace.F90
14
src/ace.F90
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@ -12,7 +12,6 @@ module ace
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use list_header, only: ListInt
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use material_header, only: Material
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use multipole, only: multipole_read
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use multipole_header, only: max_L, max_poles, max_poly
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use nuclide_header
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use output, only: write_message
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use product_header, only: ReactionProduct
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@ -478,19 +477,6 @@ contains
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call multipole_read(filename, nuc % multipole, i_table)
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nuc % mp_present = .true.
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! Update the maximum number of poles, l indices, and polynomial order
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if (nuc % multipole % max_w > max_poles) then
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max_poles = nuc % multipole % max_w
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end if
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if (nuc % multipole % num_l > max_L) then
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max_L = nuc % multipole % num_l
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end if
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if (nuc % multipole % fit_order + 1 > max_poly) then
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max_poly = nuc % multipole % fit_order + 1
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end if
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! Recreate nu-fission tables
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if (nuc % fissionable) then
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call generate_nu_fission(nuc)
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@ -9,7 +9,7 @@ module cross_section
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use math, only: faddeeva, broaden_wmp_polynomials
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use multipole_header, only: FORM_RM, FORM_MLBW, MP_EA, RM_RT, RM_RA, RM_RF, &
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MLBW_RT, MLBW_RX, MLBW_RA, MLBW_RF, FIT_T, FIT_A,&
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FIT_F, MultipoleArray, max_poly, max_L, max_poles
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FIT_F, MultipoleArray
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use nuclide_header
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use particle_header, only: Particle
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use random_lcg, only: prn, future_prn, prn_set_stream
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@ -18,14 +18,6 @@ module cross_section
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implicit none
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! Allocatable arrays for multipole that are allocated once for speed purposes
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complex(8), allocatable :: sigT_factor(:)
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real(8), allocatable :: twophi(:)
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real(8), allocatable :: broadened_polynomials(:)
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logical :: mp_already_alloc = .false.
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!$omp threadprivate(sigT_factor, twophi, broadened_polynomials, mp_already_alloc)
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contains
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!===============================================================================
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@ -558,19 +550,6 @@ contains
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end function find_energy_index
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!===============================================================================
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! MULTIPOLE_EVAL_ALLOCATE allocates fixed-length arrays that vary based on
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! what nuclides are loaded into the problem
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!===============================================================================
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subroutine multipole_eval_allocate()
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allocate(sigT_factor(max_L))
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allocate(twophi(max_L))
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allocate(broadened_polynomials(max_poly))
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mp_already_alloc = .true.
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end subroutine
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!===============================================================================
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! MULTIPOLE_EVAL evaluates the windowed multipole equations for cross
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! sections in the resolved resonance regions
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@ -593,6 +572,8 @@ contains
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complex(8) :: c_temp ! complex temporary variable
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complex(8) :: w_val ! The faddeeva function evaluated at Z
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complex(8) :: Z ! sqrt(atomic weight ratio / kT) * (sqrt(E) - pole)
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complex(8) :: sigT_factor(multipole % num_l)
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real(8) :: broadened_polynomials(multipole % fit_order + 1)
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real(8) :: sqrtE ! sqrt(E), eV
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real(8) :: invE ! 1/E, eV
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real(8) :: dopp ! sqrt(atomic weight ratio / kT) = 1 / (2 sqrt(xi))
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@ -617,10 +598,6 @@ contains
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invE = ONE / E
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dopp = multipole % sqrtAWR / sqrtkT
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if (.not. mp_already_alloc) then
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call multipole_eval_allocate()
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end if
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! Locate us.
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i_window = floor((sqrtE - sqrt(multipole % start_E)) / multipole % spacing &
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+ ONE)
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@ -629,8 +606,7 @@ contains
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! Fill in factors.
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if (startw <= endw) then
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call fill_factors(multipole, sqrtE, sigT_factor, twophi, &
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multipole % num_l)
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call compute_sigT_factor(multipole, sqrtE, sigT_factor)
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end if
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! Initialize the ouptut cross sections.
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@ -705,25 +681,23 @@ contains
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end do
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end if
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end if
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end subroutine
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end subroutine multipole_eval
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!===============================================================================
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! FILL_FACTORS calculates the value of phi, the hardsphere phase shift factor,
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! and sigT_factor, a factor inside of the sigT equation not present in the
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! sigA and sigF equations.
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! COMPUTE_SIGT_FACTOR calculates the sigT_factor, a factor inside of the sigT
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! equation not present in the sigA and sigF equations.
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!===============================================================================
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subroutine fill_factors(multipole, sqrtE, sigT_factor, twophi, max_L)
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type(MultipoleArray), intent(in) :: multipole
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real(8), intent(in) :: sqrtE
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integer, intent(in) :: max_L
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complex(8), intent(out) :: sigT_factor(max_L)
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real(8), intent(out) :: twophi(max_L)
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subroutine compute_sigT_factor(multipole, sqrtE, sigT_factor)
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type(MultipoleArray), intent(in) :: multipole
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real(8), intent(in) :: sqrtE
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complex(8), intent(out) :: sigT_factor(multipole % num_l)
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integer :: iL
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real(8) :: twophi(multipole % num_l)
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real(8) :: arg
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do iL = 1, max_L
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do iL = 1, multipole % num_l
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twophi(iL) = multipole % pseudo_k0RS(iL) * sqrtE
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if (iL == 2) then
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twophi(iL) = twophi(iL) - atan(twophi(iL))
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@ -739,7 +713,7 @@ contains
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twophi = 2.0_8 * twophi
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sigT_factor = cmplx(cos(twophi), -sin(twophi), KIND=8)
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end subroutine
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end subroutine compute_sigT_factor
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!===============================================================================
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! 0K_ELASTIC_XS determines the microscopic 0K elastic cross section
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@ -741,6 +741,8 @@ contains
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! For imag(z) > 0, w_int(z) = w_fun(z)
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! For imag(z) < 0, w_int(z) = -conjg(w_fun(conjg(z)))
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! Note that faddeeva_w will interpret zero as machine epsilon
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relerr = ZERO
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if (aimag(z) > ZERO) then
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wv = faddeeva_w(z, relerr)
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@ -4,8 +4,8 @@ module multipole
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use global
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use hdf5
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use hdf5_interface
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use multipole_header, only: MultipoleArray, FIT_T, FIT_A, FIT_F, max_L, &
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max_poles, max_poly, MP_FISS, FORM_MLBW, FORM_RM
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use multipole_header, only: MultipoleArray, FIT_T, FIT_A, FIT_F, &
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MP_FISS, FORM_MLBW, FORM_RM
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implicit none
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@ -32,12 +32,6 @@ module multipole_header
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! Value of 'true' when checking if nuclide is fissionable
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integer, parameter :: MP_FISS = 1
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! These variables store the maximum value from every nuclide in order
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! to preallocate some arrays to improve performance.
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integer :: max_poly ! Maximum number of polynomials we expect
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integer :: max_poles ! Maximum number of poles in the problem for allocation
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integer :: max_L ! Maximum L value for allocation
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!===============================================================================
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! MULTIPOLE contains all the components needed for the windowed multipole
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! temperature dependent cross section libraries for the resolved resonance
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@ -1,7 +0,0 @@
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import openmc
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su = openmc.Summary('summary.h5')
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sp = openmc.StatePoint('statepoint.1.h5')
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sp.link_with_summary(su)
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print(sp.tallies[1].get_pandas_dataframe(summary=su))
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