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Resolving style comments from @paulromano

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This commit is contained in:
Adam Nelson 2016-02-08 19:43:35 -05:00
parent 2098487bcb
commit 65825b1b4f
12 changed files with 194 additions and 219 deletions
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2
docs/source/usersguide/output/particle_restart.rst
View file

@ -49,7 +49,7 @@ The current revision of the particle restart file format is 2.
Energy of the particle in MeV. This is always provided but only used
for continuous-energy mode.
**/energy_group** (*double*)
**/energy_group** (*int*)
Energy group of the particle. This is always provided but only used
for multi-group mode.

5
src/ace_header.F90
View file

@ -24,9 +24,8 @@ module ace_header
real(8), allocatable :: sigma(:) ! Cross section values
type(SecondaryDistribution) :: secondary
! Type-Bound procedures
contains
procedure :: clear => reaction_clear ! Deallocates Reaction
contains
procedure :: clear => reaction_clear ! Deallocates Reaction
end type Reaction
!===============================================================================

2
src/global.F90
View file

@ -5,7 +5,7 @@ module global
use constants
use dict_header, only: DictCharInt, DictIntInt
use geometry_header, only: Cell, Universe, Lattice, LatticeContainer
use macroxs_header, only: MacroXS_Base, MacroXSContainer
use macroxs_header, only: MacroXSContainer
use material_header, only: Material
use mesh_header, only: RegularMesh
use nuclide_header

97
src/macroxs_header.F90
View file

@ -14,26 +14,24 @@ module macroxs_header
! particle is traveling through
!===============================================================================
type, abstract :: MacroXS_Base
type, abstract :: MacroXS
! Data Order
integer :: order
! Type-Bound procedures
contains
procedure(macroxs_init_), deferred, pass :: init ! initializes object
procedure(macroxs_get_xs_), deferred, pass :: get_xs ! Return xs
end type MacroXS_Base
procedure(macroxs_init_), deferred :: init ! initializes object
procedure(macroxs_get_xs_), deferred :: get_xs ! Return xs
end type MacroXS
abstract interface
subroutine macroxs_init_(this, mat, nuclides, groups, get_kfiss, get_fiss, &
max_order, scatt_type, legendre_mu_points, &
error_code, error_text)
import MacroXS_Base
import MacroXS
import Material
import NuclideMGContainer
import MAX_LINE_LEN
class(MacroXS_Base), intent(inout) :: this ! The MacroXS to initialize
class(MacroXS), intent(inout) :: this ! The MacroXS to initialize
type(Material), pointer, intent(in) :: mat ! base material
type(NuclideMGContainer), intent(in) :: nuclides(:) ! List of nuclides to harvest from
integer, intent(in) :: groups ! Number of E groups
@ -44,47 +42,36 @@ module macroxs_header
integer, intent(in) :: legendre_mu_points ! Treat as Leg or Tabular?
integer, intent(inout) :: error_code ! Code signifying error
character(MAX_LINE_LEN), intent(inout) :: error_text ! Error message to print
end subroutine macroxs_init_
function macroxs_get_xs_(this, g, xstype, gout, uvw) result(xs)
import MacroXS_Base
class(MacroXS_Base), intent(in) :: this ! The MacroXS to initialize
import MacroXS
class(MacroXS), intent(in) :: this ! The MacroXS to initialize
integer, intent(in) :: g ! Incoming Energy group
character(*) , intent(in) :: xstype ! Cross Section Type
integer, optional, intent(in) :: gout ! Outgoing Energy group
real(8), optional, intent(in) :: uvw(3) ! Requested Angle
real(8) :: xs ! Resultant xs
end function macroxs_get_xs_
subroutine macroxs_clear_(this)
import MacroXS_Base
class(MacroXS_Base), intent(inout) :: this ! The MacroXS to clear
end subroutine macroxs_clear_
end interface
type, extends(MacroXS_Base) :: MacroXS_Iso
type, extends(MacroXS) :: MacroXSIso
! Microscopic cross sections
real(8), allocatable :: total(:) ! total cross section
real(8), allocatable :: absorption(:) ! absorption cross section
class(ScattData_Base), allocatable :: scatter ! scattering information
class(ScattData), allocatable :: scatter ! scattering information
real(8), allocatable :: nu_fission(:) ! nu-fission
real(8), allocatable :: k_fission(:) ! kappa-fission
real(8), allocatable :: fission(:) ! fission x/s
real(8), allocatable :: scattxs(:) ! scattering xs
real(8), allocatable :: chi(:,:) ! fission spectra
! Type-Bound procedures
contains
procedure, pass :: init => macroxs_iso_init ! inits object
procedure, pass :: get_xs => macroxs_iso_get_xs ! Returns xs
end type MacroXS_Iso
procedure :: init => macroxsiso_init ! inits object
procedure :: get_xs => macroxsiso_get_xs ! Returns xs
end type MacroXSIso
type, extends(MacroXS_Base) :: MacroXS_Angle
type, extends(MacroXS) :: MacroXSAngle
! Macroscopic cross sections
real(8), allocatable :: total(:,:,:) ! total cross section
real(8), allocatable :: absorption(:,:,:) ! absorption cross section
@ -97,18 +84,17 @@ module macroxs_header
real(8), allocatable :: polar(:) ! polar angles
real(8), allocatable :: azimuthal(:) ! azimuthal angles
! Type-Bound procedures
contains
procedure, pass :: init => macroxs_angle_init ! inits object
procedure, pass :: get_xs => macroxs_angle_get_xs ! Returns xs
end type MacroXS_Angle
procedure :: init => macroxsangle_init ! inits object
procedure :: get_xs => macroxsangle_get_xs ! Returns xs
end type MacroXSAngle
!===============================================================================
! MACROXSCONTAINER pointer array for storing MacroXS objects.
!===============================================================================
type MacroXSContainer
class(MacroXS_Base), allocatable :: obj
class(MacroXS), allocatable :: obj
end type MacroXSContainer
contains
@ -117,10 +103,9 @@ contains
! MACROXS*_INIT sets the MacroXS Data
!===============================================================================
subroutine macroxs_iso_init(this, mat, nuclides, groups, get_kfiss, get_fiss, &
subroutine macroxsiso_init(this, mat, nuclides, groups, get_kfiss, get_fiss, &
max_order, scatt_type, legendre_mu_points, error_code, error_text)
class(MacroXS_Iso), intent(inout) :: this ! The MacroXS to initialize
class(MacroXSIso), intent(inout) :: this ! The MacroXS to initialize
type(Material), pointer, intent(in) :: mat ! base material
type(NuclideMGContainer), intent(in) :: nuclides(:) ! List of nuclides to harvest from
integer, intent(in) :: groups ! Number of E groups
@ -135,7 +120,6 @@ contains
integer :: i ! loop index over nuclides
integer :: gin, gout ! group indices
real(8) :: atom_density ! atom density of a nuclide
! class(NuclideBase), pointer :: nuc ! current nuclide
integer :: imu
real(8) :: norm
integer :: mat_max_order, order, l
@ -164,7 +148,7 @@ contains
! Allocate stuff for later
allocate(scatt_coeffs(order, groups, groups))
scatt_coeffs = ZERO
allocate(ScattData_Histogram :: this % scatter)
allocate(ScattDataHistogram :: this % scatter)
else if (scatt_type == ANGLE_TABULAR) then
! Check all scattering data of same size
@ -182,7 +166,7 @@ contains
! Allocate stuff for later
allocate(scatt_coeffs(order, groups, groups))
scatt_coeffs = ZERO
allocate(ScattData_Tabular :: this % scatter)
allocate(ScattDataTabular :: this % scatter)
else if (scatt_type == ANGLE_LEGENDRE) then
! Otherwise find the maximum scattering order
@ -203,9 +187,9 @@ contains
allocate(scatt_coeffs(order + 1, groups, groups))
scatt_coeffs = ZERO
if (legendre_mu_points == 1) then
allocate(ScattData_Legendre :: this % scatter)
allocate(ScattDataLegendre :: this % scatter)
else
allocate(ScattData_Tabular :: this % scatter)
allocate(ScattDataTabular :: this % scatter)
end if
end if
@ -307,7 +291,7 @@ contains
end do
type is (NuclideAngle)
error_code = 1
error_text = "Invalid Passing of NuclideAngle to MacroXS_Iso Object"
error_text = "Invalid Passing of NuclideAngle to MacroXSIso Object"
return
end select
end do
@ -360,12 +344,11 @@ contains
! Deallocate temporaries for the next material
deallocate(scatt_coeffs, temp_energy, temp_mult)
end subroutine macroxs_iso_init
end subroutine macroxsiso_init
subroutine macroxs_angle_init(this, mat, nuclides, groups, get_kfiss, get_fiss, &
subroutine macroxsangle_init(this, mat, nuclides, groups, get_kfiss, get_fiss, &
max_order, scatt_type, legendre_mu_points, error_code, error_text)
class(MacroXS_Angle), intent(inout) :: this ! The MacroXS to initialize
class(MacroXSAngle), intent(inout) :: this ! The MacroXS to initialize
type(Material), pointer, intent(in) :: mat ! base material
type(NuclideMGContainer), intent(in) :: nuclides(:) ! List of nuclides to harvest from
integer, intent(in) :: groups ! Number of E groups
@ -435,7 +418,7 @@ contains
allocate(this % scatter(nazi, npol))
do ipol = 1, npol
do iazi = 1, nazi
allocate(ScattData_Histogram :: this % scatter(iazi, ipol) % obj)
allocate(ScattDataHistogram :: this % scatter(iazi, ipol) % obj)
end do
end do
@ -458,7 +441,7 @@ contains
allocate(this % scatter(nazi, npol))
do ipol = 1, npol
do iazi = 1, nazi
allocate(ScattData_Tabular :: this % scatter(iazi, ipol) % obj)
allocate(ScattDataTabular :: this % scatter(iazi, ipol) % obj)
end do
end do
@ -484,9 +467,9 @@ contains
do ipol = 1, npol
do iazi = 1, nazi
if (legendre_mu_points == 1) then
allocate(ScattData_Legendre :: this % scatter(iazi, ipol) % obj)
allocate(ScattDataLegendre :: this % scatter(iazi, ipol) % obj)
else
allocate(ScattData_Tabular :: this % scatter(iazi, ipol) % obj)
allocate(ScattDataTabular :: this % scatter(iazi, ipol) % obj)
end if
end do
end do
@ -524,7 +507,7 @@ contains
select type(nuc => nuclides(mat % nuclide(i)) % obj)
type is (NuclideIso)
error_code = 1
error_text = "Invalid Passing of NuclideIso to MacroXS_Angle Object"
error_text = "Invalid Passing of NuclideIso to MacroXSAngle Object"
return
type is (NuclideAngle)
! Add contributions to total, absorption, and fission data (if necessary)
@ -652,14 +635,14 @@ contains
! Deallocate temporaries for the next material
deallocate(scatt_coeffs, temp_energy, temp_mult)
end subroutine macroxs_angle_init
end subroutine macroxsangle_init
!===============================================================================
! MACROXS_*_GET_XS returns the requested data type
!===============================================================================
function macroxs_iso_get_xs(this, g, xstype, gout, uvw) result(xs)
class(MacroXS_Iso), intent(in) :: this ! The MacroXS to initialize
function macroxsiso_get_xs(this, g, xstype, gout, uvw) result(xs)
class(MacroXSIso), intent(in) :: this ! The MacroXS to initialize
integer, intent(in) :: g ! Incoming Energy group
character(*) , intent(in) :: xstype ! Type of xs requested
integer, optional, intent(in) :: gout ! Outgoing Energy group
@ -687,10 +670,10 @@ contains
end if
end select
end function macroxs_iso_get_xs
end function macroxsiso_get_xs
function macroxs_angle_get_xs(this, g, xstype, gout,uvw) result(xs)
class(MacroXS_Angle), intent(in) :: this ! The MacroXS to initialize
function macroxsangle_get_xs(this, g, xstype, gout,uvw) result(xs)
class(MacroXSAngle), intent(in) :: this ! The MacroXS to initialize
integer, intent(in) :: g ! Incoming Energy group
character(*) , intent(in) :: xstype ! Type of xs requested
integer, optional, intent(in) :: gout ! Outgoing Energy group
@ -723,6 +706,6 @@ contains
end select
end if
end function macroxs_angle_get_xs
end function macroxsangle_get_xs
end module macroxs_header

62
src/macroxs.F90 → src/macroxs_operations.F90
View file

@ -1,7 +1,7 @@
module macroxs
module macroxs_operations
use constants
use macroxs_header, only: MacroXS_Base, MacroXS_Iso, MacroXS_Angle, &
use macroxs_header, only: MacroXS, MacroXSIso, MacroXSAngle, &
expand_harmonic
use material_header, only: Material
use math
@ -20,7 +20,7 @@ contains
!===============================================================================
subroutine calculate_mgxs(this, gin, uvw, xs)
class(MacroXS_Base), intent(in) :: this
class(MacroXS), intent(in) :: this
integer, intent(in) :: gin ! Incoming neutron group
real(8), intent(in) :: uvw(3) ! Incoming neutron direction
type(MaterialMacroXS), intent(inout) :: xs
@ -28,13 +28,13 @@ contains
integer :: iazi, ipol
select type(this)
type is (MacroXS_Iso)
type is (MacroXSIso)
xs % total = this % total(gin)
xs % elastic = this % scattxs(gin)
xs % absorption = this % absorption(gin)
xs % nu_fission = this % nu_fission(gin)
type is (MacroXS_Angle)
type is (MacroXSAngle)
call find_angle(this % polar, this % azimuthal, uvw, iazi, ipol)
xs % total = this % total(gin, iazi, ipol)
xs % elastic = this % scattxs(gin, iazi, ipol)
@ -50,16 +50,16 @@ contains
!===============================================================================
function sample_fission_energy(this, gin, uvw) result(gout)
class(MacroXS_Base), intent(in) :: this ! Data to work with
class(MacroXS), intent(in) :: this ! Data to work with
integer, intent(in) :: gin ! Incoming energy group
real(8), intent(in) :: uvw(3) ! Particle Direction
integer :: gout ! Sampled outgoing group
select type(this)
type is (MacroXS_Iso)
gout = macroxs_iso_sample_fission_energy(this, gin, uvw)
type is (MacroXS_Angle)
gout = macroxs_angle_sample_fission_energy(this, gin, uvw)
type is (MacroXSIso)
gout = macroxsiso_sample_fission_energy(this, gin, uvw)
type is (MacroXSAngle)
gout = macroxsangle_sample_fission_energy(this, gin, uvw)
end select
end function sample_fission_energy
@ -69,11 +69,11 @@ contains
! Implemented as % scatter.
!===============================================================================
function macroxs_iso_sample_fission_energy(this, gin, uvw) result(gout)
class(MacroXS_Iso), intent(in) :: this ! Data to work with
integer, intent(in) :: gin ! Incoming energy group
real(8), intent(in) :: uvw(3) ! Particle Direction
integer :: gout ! Sampled outgoing group
function macroxsiso_sample_fission_energy(this, gin, uvw) result(gout)
class(MacroXSIso), intent(in) :: this ! Data to work with
integer, intent(in) :: gin ! Incoming energy group
real(8), intent(in) :: uvw(3) ! Particle Direction
integer :: gout ! Sampled outgoing group
real(8) :: xi ! Our random number
real(8) :: prob ! Running probability
@ -86,10 +86,10 @@ contains
prob = prob + this % chi(gout,gin)
end do
end function macroxs_iso_sample_fission_energy
end function macroxsiso_sample_fission_energy
function macroxs_angle_sample_fission_energy(this, gin, uvw) result(gout)
class(MacroXS_Angle), intent(in) :: this ! Data to work with
function macroxsangle_sample_fission_energy(this, gin, uvw) result(gout)
class(MacroXSAngle), intent(in) :: this ! Data to work with
integer, intent(in) :: gin ! Incoming energy group
real(8), intent(in) :: uvw(3) ! Particle Direction
integer :: gout ! Sampled outgoing group
@ -108,14 +108,14 @@ contains
prob = prob + this % chi(gout,gin,iazi,ipol)
end do
end function macroxs_angle_sample_fission_energy
end function macroxsangle_sample_fission_energy
!===============================================================================
! SAMPLE_SCATTER acts as a templating code for macroxs_*_sample_scatter
!===============================================================================
subroutine sample_scatter(this, uvw, gin, gout, mu, wgt)
class(MacroXS_Base), intent(in) :: this
class(MacroXS), intent(in) :: this
real(8), intent(in) :: uvw(3) ! Incoming neutron direction
integer, intent(in) :: gin ! Incoming neutron group
integer, intent(out) :: gout ! Sampled outgoin group
@ -125,9 +125,9 @@ contains
integer :: iazi, ipol ! Angular indices
select type(this)
type is (MacroXS_Iso)
type is (MacroXSIso)
call macroxs_sample_scatter(this % scatter, gin, gout, mu, wgt)
type is (MacroXS_Angle)
type is (MacroXSAngle)
call find_angle(this % polar, this % azimuthal, uvw, iazi, ipol)
call macroxs_sample_scatter(this % scatter(iazi,ipol) % obj,gin,gout,mu,wgt)
end select
@ -140,11 +140,11 @@ contains
!===============================================================================
subroutine macroxs_sample_scatter(scatt, gin, gout, mu, wgt)
class(ScattData_Base), intent(in) :: scatt ! Scattering Object to Use
integer, intent(in) :: gin ! Incoming neutron group
integer, intent(out) :: gout ! Sampled outgoin group
real(8), intent(out) :: mu ! Sampled change in angle
real(8), intent(inout) :: wgt ! Particle weight
class(ScattData), intent(in) :: scatt ! Scattering Object to Use
integer, intent(in) :: gin ! Incoming neutron group
integer, intent(out) :: gout ! Sampled outgoin group
real(8), intent(out) :: mu ! Sampled change in angle
real(8), intent(inout) :: wgt ! Particle weight
real(8) :: xi ! Our random number
real(8) :: prob ! Running probability
@ -164,7 +164,7 @@ contains
end do
select type (scatt)
type is (ScattData_Histogram)
type is (ScattDataHistogram)
xi = prn()
if (xi < scatt % data(1,gout,gin)) then
imu = 1
@ -176,7 +176,7 @@ contains
! Randomly select a mu in this bin.
mu = prn() * scatt % dmu + scatt % mu(imu)
type is (ScattData_Tabular)
type is (ScattDataTabular)
! determine outgoing cosine bin
NP = size(scatt % data(:,gout,gin))
xi = prn()
@ -211,7 +211,7 @@ contains
mu = ONE
end if
type is (ScattData_Legendre)
type is (ScattDataLegendre)
! Now we can sample mu using the legendre representation of the scattering
! kernel in data(1:this % order)
@ -240,4 +240,4 @@ contains
end subroutine macroxs_sample_scatter
end module macroxs
end module macroxs_operations

8
src/mgxs_data.F90
View file

@ -486,7 +486,7 @@ contains
return
call get_node_array(node_xsdata, "polar", this % polar)
else
dangle = PI / (real(this % Npol,8))
dangle = PI / real(this % Npol,8)
do iangle = 1, this % Npol
this % polar(iangle) = (real(iangle,8) - 0.5_8) * dangle
end do
@ -497,7 +497,7 @@ contains
return
call get_node_array(node_xsdata, "azimuthal", this % azimuthal)
else
dangle = TWO * PI / (real(this % Nazi,8))
dangle = TWO * PI / real(this % Nazi,8)
do iangle = 1, this % Nazi
this % azimuthal(iangle) = -PI + (real(iangle,8) - 0.5_8) * dangle
end do
@ -685,9 +685,9 @@ contains
! Now allocate accordingly
select case(representation)
case(MGXS_ISOTROPIC)
allocate(MacroXS_Iso :: macro_xs(i_mat) % obj)
allocate(MacroXSIso :: macro_xs(i_mat) % obj)
case(MGXS_ANGLE)
allocate(MacroXS_Angle :: macro_xs(i_mat) % obj)
allocate(MacroXSAngle :: macro_xs(i_mat) % obj)
end select
call macro_xs(i_mat) % obj % init(mat, nuclides_MG, energy_groups, &

64
src/nuclide_header.F90
View file

@ -12,12 +12,12 @@ module nuclide_header
implicit none
!===============================================================================
! NuclideBase contains the base nuclidic data for a nuclide, which does not depend
! Nuclide contains the base nuclidic data for a nuclide, which does not depend
! upon how the nuclear data is represented (i.e., CE, or any variant of MG).
! The extended types, NuclideCE and NuclideMG deal with the rest
!===============================================================================
type, abstract :: NuclideBase
type, abstract :: Nuclide
character(12) :: name ! name of nuclide, e.g. 92235.03c
integer :: zaid ! Z and A identifier, e.g. 92235
real(8) :: awr ! Atomic Weight Ratio
@ -30,21 +30,21 @@ module nuclide_header
! Fission information
logical :: fissionable ! nuclide is fissionable?
contains
procedure(print_nuclide_), deferred, pass :: print ! Writes nuclide info
end type NuclideBase
contains
procedure(print_nuclide_), deferred :: print ! Writes nuclide info
end type Nuclide
abstract interface
subroutine print_nuclide_(this, unit)
import NuclideBase
class(NuclideBase),intent(in) :: this
integer, optional, intent(in) :: unit
import Nuclide
class(Nuclide),intent(in) :: this
integer, optional, intent(in) :: unit
end subroutine print_nuclide_
end interface
type, extends(NuclideBase) :: NuclideCE
type, extends(Nuclide) :: NuclideCE
! Energy grid information
integer :: n_grid ! # of nuclide grid points
integer, allocatable :: grid_index(:) ! log grid mapping indices
@ -100,13 +100,12 @@ module nuclide_header
type(DictIntInt) :: reaction_index ! map MT values to index in reactions
! array; used at tally-time
! Type-Bound procedures
contains
procedure, pass :: clear => nuclidece_clear
procedure, pass :: print => nuclidece_print
contains
procedure :: clear => nuclidece_clear
procedure :: print => nuclidece_print
end type NuclideCE
type, abstract, extends(NuclideBase) :: NuclideMG
type, abstract, extends(Nuclide) :: NuclideMG
! Scattering Order Information
integer :: order ! Order of data (Scattering for NuclideIso,
! Number of angles for all in NuclideAngle)
@ -114,10 +113,9 @@ module nuclide_header
integer :: legendre_mu_points ! Number of tabular points to use to represent
! Legendre distribs, -1 if sample with the
! Legendres themselves
! Type-Bound procedures
contains
procedure(nuclidemg_get_xs), deferred, pass :: get_xs ! Get the xs
procedure(nuclide_calc_f_), deferred, pass :: calc_f ! Calculates f, given mu
contains
procedure(nuclidemg_get_xs), deferred :: get_xs ! Get the xs
procedure(nuclide_calc_f_), deferred :: calc_f ! Calculates f, given mu
end type NuclideMG
abstract interface
@ -166,11 +164,10 @@ module nuclide_header
real(8), allocatable :: chi(:) ! Fission Spectra
real(8), allocatable :: mult(:,:) ! Scatter multiplicity (Gout x Gin)
! Type-Bound procedures
contains
procedure, pass :: print => nuclideiso_print ! Writes nuclide info
procedure, pass :: get_xs => nuclideiso_get_xs ! Gets Size of Data w/in Object
procedure, pass :: calc_f => nuclideiso_calc_f ! Calcs f given mu
contains
procedure :: print => nuclideiso_print ! Writes nuclide info
procedure :: get_xs => nuclideiso_get_xs ! Gets Size of Data w/in Object
procedure :: calc_f => nuclideiso_calc_f ! Calcs f given mu
end type NuclideIso
!===============================================================================
@ -196,11 +193,10 @@ module nuclide_header
real(8), allocatable :: polar(:) ! polar angles
real(8), allocatable :: azimuthal(:) ! azimuthal angles
! Type-Bound procedures
contains
procedure, pass :: print => nuclideangle_print ! Gets Size of Data w/in Object
procedure, pass :: get_xs => nuclideangle_get_xs ! Gets Size of Data w/in Object
procedure, pass :: calc_f => nuclideangle_calc_f ! Calcs f given mu
contains
procedure :: print => nuclideangle_print ! Gets Size of Data w/in Object
procedure :: get_xs => nuclideangle_get_xs ! Gets Size of Data w/in Object
procedure :: calc_f => nuclideangle_calc_f ! Calcs f given mu
end type NuclideAngle
!===============================================================================
@ -217,14 +213,12 @@ module nuclide_header
!===============================================================================
type Nuclide0K
character(10) :: nuclide ! name of nuclide, e.g. U-238
character(16) :: scheme = 'ares' ! target velocity sampling scheme
character(10) :: name ! name of nuclide, e.g. 92235.03c
character(10) :: name_0K ! name of 0K nuclide, e.g. 92235.00c
real(8) :: E_min = 0.01e-6_8 ! lower cutoff energy for res scattering
real(8) :: E_max = 1000.0e-6_8 ! upper cutoff energy for res scattering
end type Nuclide0K
!===============================================================================
@ -289,7 +283,7 @@ module nuclide_header
contains
!===============================================================================
! NUCLIDECE_CLEAR resets and deallocates data in NuclideBase, NuclideIso
! NUCLIDECE_CLEAR resets and deallocates data in Nuclide, NuclideIso
! or NuclideAngle
!===============================================================================
@ -648,7 +642,7 @@ module nuclide_header
if (this % scatt_type == ANGLE_LEGENDRE) then
f = evaluate_legendre(this % scatter(gout,gin,:), mu)
else if (this % scatt_type == ANGLE_TABULAR) then
dmu = TWO / (real(this % order) - 1)
dmu = TWO / real(this % order - 1)
! Find mu bin algebraically, knowing that the spacing is equal
f = (mu + ONE) / dmu + ONE
imu = floor(f)
@ -702,7 +696,7 @@ module nuclide_header
if (this % scatt_type == ANGLE_LEGENDRE) then
f = evaluate_legendre(this % scatter(gout,gin,:,i_azi_,i_pol_), mu)
else if (this % scatt_type == ANGLE_TABULAR) then
dmu = TWO / (real(this % order) - 1)
dmu = TWO / real(this % order - 1)
! Find mu bin algebraically, knowing that the spacing is equal
f = (mu + ONE) / dmu + ONE
imu = floor(f)
@ -751,9 +745,9 @@ module nuclide_header
my_azi = atan2(uvw(2), uvw(1))
! Search for equi-binned angles
dangle = PI / (real(size(polar),8))
dangle = PI / real(size(polar),8)
i_pol = floor(my_pol / dangle + ONE)
dangle = TWO * PI / (real(size(azimuthal),8))
dangle = TWO * PI / real(size(azimuthal),8)
i_azi = floor((my_azi + PI) / dangle + ONE)
end subroutine find_angle

8
src/particle_header.F90
View file

@ -94,10 +94,10 @@ module particle_header
type(Bank) :: secondary_bank(MAX_SECONDARY)
contains
procedure, pass :: initialize => initialize_particle
procedure, pass :: clear => clear_particle
procedure, pass :: initialize_from_source => initialize_from_source
procedure, pass :: create_secondary => create_secondary
procedure :: initialize => initialize_particle
procedure :: clear => clear_particle
procedure :: initialize_from_source => initialize_from_source
procedure :: create_secondary => create_secondary
end type Particle
contains

6
src/physics_mg.F90
View file

@ -5,8 +5,8 @@ module physics_mg
use constants
use error, only: fatal_error, warning
use global
use macroxs_header, only: MacroXS_Base, MacroXSContainer
use macroxs, only: sample_fission_energy, sample_scatter
use macroxs_header, only: MacroXS, MacroXSContainer
use macroxs_operations, only: sample_fission_energy, sample_scatter
use material_header, only: Material
use math, only: rotate_angle
use mesh, only: get_mesh_indices
@ -179,7 +179,7 @@ contains
real(8) :: phi ! fission neutron azimuthal angle
real(8) :: weight ! weight adjustment for ufs method
logical :: in_mesh ! source site in ufs mesh?
class(MacroXS_Base), pointer :: xs
class(MacroXS), pointer :: xs
! Get Pointers
xs => macro_xs(p % material) % obj

4
src/sab_header.F90
View file

@ -60,8 +60,8 @@ module sab_header
real(8), allocatable :: elastic_e_in(:)
real(8), allocatable :: elastic_P(:)
real(8), allocatable :: elastic_mu(:,:)
contains
procedure, pass :: print => print_sab_table
contains
procedure :: print => print_sab_table
end type SAlphaBeta
contains

121
src/scattdata_header.F90
View file

@ -10,68 +10,67 @@ module scattdata_header
! angular distribution
!===============================================================================
type, abstract :: ScattData_Base
type, abstract :: ScattData
! p0 matrix on its own for sampling energy
real(8), allocatable :: energy(:,:) ! (Gout x Gin)
real(8), allocatable :: mult(:,:) ! (Gout x Gin)
real(8), allocatable :: data(:,:,:) ! (Order/Nmu x Gout x Gin)
! Type-Bound procedures
contains
procedure(init_), deferred, pass :: init ! Initializes ScattData
procedure(calc_f_), deferred, pass :: calc_f ! Calculates f, given mu
end type ScattData_Base
procedure(init_), deferred :: init ! Initializes ScattData
procedure(calc_f_), deferred :: calc_f ! Calculates f, given mu
end type ScattData
abstract interface
subroutine init_(this, order, energy, mult, coeffs)
import ScattData_Base
class(ScattData_Base), intent(inout) :: this ! Object to work on
integer, intent(in) :: order ! Data Order
real(8), intent(in) :: energy(:,:) ! Energy Transfer Matrix
real(8), intent(in) :: mult(:,:) ! Scatter Prod'n Matrix
real(8), intent(in) :: coeffs(:,:,:) ! Coefficients to use
import ScattData
class(ScattData), intent(inout) :: this ! Object to work on
integer, intent(in) :: order ! Data Order
real(8), intent(in) :: energy(:,:) ! Energy Transfer Matrix
real(8), intent(in) :: mult(:,:) ! Scatter Prod'n Matrix
real(8), intent(in) :: coeffs(:,:,:) ! Coefficients to use
end subroutine init_
pure function calc_f_(this, gin, gout, mu) result(f)
import ScattData_Base
class(ScattData_Base), intent(in) :: this ! The ScattData to evaluate
integer, intent(in) :: gin ! Incoming Energy Group
integer, intent(in) :: gout ! Outgoing Energy Group
real(8), intent(in) :: mu ! Angle of interest
real(8) :: f ! Return value of f(mu)
import ScattData
class(ScattData), intent(in) :: this ! The ScattData to evaluate
integer, intent(in) :: gin ! Incoming Energy Group
integer, intent(in) :: gout ! Outgoing Energy Group
real(8), intent(in) :: mu ! Angle of interest
real(8) :: f ! Return value of f(mu)
end function calc_f_
end interface
type, extends(ScattData_Base) :: ScattData_Legendre
type, extends(ScattData) :: ScattDataLegendre
contains
procedure, pass :: init => scattdata_legendre_init
procedure, pass :: calc_f => scattdata_legendre_calc_f
end type ScattData_Legendre
procedure :: init => scattdatalegendre_init
procedure :: calc_f => scattdatalegendre_calc_f
end type ScattDataLegendre
type, extends(ScattData_Base) :: ScattData_Histogram
real(8), allocatable :: mu(:) ! Mu bins
real(8) :: dmu ! Mu spacing
type, extends(ScattData) :: ScattDataHistogram
real(8), allocatable :: mu(:) ! Mu bins
real(8) :: dmu ! Mu spacing
contains
procedure, pass :: init => scattdata_histogram_init
procedure, pass :: calc_f => scattdata_histogram_calc_f
end type ScattData_Histogram
procedure :: init => scattdatahistogram_init
procedure :: calc_f => scattdatahistogram_calc_f
end type ScattDataHistogram
type, extends(ScattData_Base) :: ScattData_Tabular
real(8), allocatable :: mu(:) ! Mu bins
real(8) :: dmu ! Mu spacing
real(8), allocatable :: fmu(:,:,:) ! PDF of f(mu)
type, extends(ScattData) :: ScattDataTabular
real(8), allocatable :: mu(:) ! Mu bins
real(8) :: dmu ! Mu spacing
real(8), allocatable :: fmu(:,:,:) ! PDF of f(mu)
contains
procedure, pass :: init => scattdata_tabular_init
procedure, pass :: calc_f => scattdata_tabular_calc_f
end type ScattData_Tabular
procedure :: init => scattdatatabular_init
procedure :: calc_f => scattdatatabular_calc_f
end type ScattDataTabular
!===============================================================================
! SCATTDATACONTAINER allocatable array for storing ScattData Objects (for angle)
!===============================================================================
type ScattDataContainer
class(ScattData_Base), allocatable :: obj
class(ScattData), allocatable :: obj
end type ScattDataContainer
contains
@ -80,8 +79,8 @@ contains
! SCATTDATA_INIT builds the scattdata object
!===============================================================================
subroutine scattdata_base_init(this, order, energy, mult)
class(ScattData_Base), intent(inout) :: this ! Object to work on
subroutine scattdatabase_init(this, order, energy, mult)
class(ScattData), intent(inout) :: this ! Object to work on
integer, intent(in) :: order ! Data Order
real(8), intent(in) :: energy(:,:) ! Energy Transfer Matrix
real(8), intent(in) :: mult(:,:) ! Scatter Prod'n Matrix
@ -97,23 +96,23 @@ contains
allocate(this % data(order, groups, groups))
this % data = ZERO
end subroutine scattdata_base_init
end subroutine scattdatabase_init
subroutine scattdata_legendre_init(this, order, energy, mult, coeffs)
class(ScattData_Legendre), intent(inout) :: this ! Object to work on
subroutine scattdatalegendre_init(this, order, energy, mult, coeffs)
class(ScattDataLegendre), intent(inout) :: this ! Object to work on
integer, intent(in) :: order ! Data Order
real(8), intent(in) :: energy(:,:) ! Energy Transfer Matrix
real(8), intent(in) :: mult(:,:) ! Scatter Prod'n Matrix
real(8), intent(in) :: coeffs(:,:,:) ! Coefficients to use
call scattdata_base_init(this, order, energy, mult)
call scattdatabase_init(this, order, energy, mult)
this % data = coeffs
end subroutine scattdata_legendre_init
end subroutine scattdatalegendre_init
subroutine scattdata_histogram_init(this, order, energy, mult, coeffs)
class(ScattData_Histogram), intent(inout) :: this ! Object to work on
subroutine scattdatahistogram_init(this, order, energy, mult, coeffs)
class(ScattDataHistogram), intent(inout) :: this ! Object to work on
integer, intent(in) :: order ! Data Order
real(8), intent(in) :: energy(:,:) ! Energy Transfer Matrix
real(8), intent(in) :: mult(:,:) ! Scatter Prod'n Matrix
@ -124,10 +123,10 @@ contains
groups = size(energy,dim=1)
call scattdata_base_init(this, order, energy, mult)
call scattdatabase_init(this, order, energy, mult)
allocate(this % mu(order))
this % dmu = TWO / (real(order,8))
this % dmu = TWO / real(order,8)
this % mu(1) = -ONE
do imu = 2, order
this % mu(imu) = -ONE + (imu - 1) * this % dmu
@ -152,10 +151,10 @@ contains
end do
end do
end subroutine scattdata_histogram_init
end subroutine scattdatahistogram_init
subroutine scattdata_tabular_init(this, order, energy, mult, coeffs)
class(ScattData_Tabular), intent(inout) :: this ! Object to work on
subroutine scattdatatabular_init(this, order, energy, mult, coeffs)
class(ScattDataTabular), intent(inout) :: this ! Object to work on
integer, intent(in) :: order ! Data Order
real(8), intent(in) :: energy(:,:) ! Energy Transfer Matrix
real(8), intent(in) :: mult(:,:) ! Scatter Prod'n Matrix
@ -176,10 +175,10 @@ contains
groups = size(energy,dim=1)
call scattdata_base_init(this, this_order, energy, mult)
call scattdatabase_init(this, this_order, energy, mult)
allocate(this % mu(this_order))
this % dmu = TWO / (real(this_order) - 1)
this % dmu = TWO / real(this_order - 1)
do imu = 1, this_order - 1
this % mu(imu) = -ONE + real(imu - 1) * this % dmu
end do
@ -228,14 +227,14 @@ contains
end do
end do
end subroutine scattdata_tabular_init
end subroutine scattdatatabular_init
!===============================================================================
! SCATTDATA_*_CALC_F Calculates the value of f given mu (and gin,gout pair)
!===============================================================================
pure function scattdata_legendre_calc_f(this, gin, gout, mu) result(f)
class(ScattData_Legendre), intent(in) :: this ! The ScattData to evaluate
pure function scattdatalegendre_calc_f(this, gin, gout, mu) result(f)
class(ScattDataLegendre), intent(in) :: this ! The ScattData to evaluate
integer, intent(in) :: gin ! Incoming Energy Group
integer, intent(in) :: gout ! Outgoing Energy Group
real(8), intent(in) :: mu ! Angle of interest
@ -244,10 +243,10 @@ contains
! Plug mu in to the legendre expansion and go from there
f = evaluate_legendre(this % data(:, gout, gin), mu)
end function scattdata_legendre_calc_f
end function scattdatalegendre_calc_f
pure function scattdata_histogram_calc_f(this, gin, gout, mu) result(f)
class(ScattData_Histogram), intent(in) :: this ! The ScattData to evaluate
pure function scattdatahistogram_calc_f(this, gin, gout, mu) result(f)
class(ScattDataHistogram), intent(in) :: this ! The ScattData to evaluate
integer, intent(in) :: gin ! Incoming Energy Group
integer, intent(in) :: gout ! Outgoing Energy Group
real(8), intent(in) :: mu ! Angle of interest
@ -265,10 +264,10 @@ contains
! Use histogram interpolation to find f(mu)
f = this % data(imu, gout, gin)
end function scattdata_histogram_calc_f
end function scattdatahistogram_calc_f
pure function scattdata_tabular_calc_f(this, gin, gout, mu) result(f)
class(ScattData_Tabular), intent(in) :: this ! The ScattData to evaluate
pure function scattdatatabular_calc_f(this, gin, gout, mu) result(f)
class(ScattDataTabular), intent(in) :: this ! The ScattData to evaluate
integer, intent(in) :: gin ! Incoming Energy Group
integer, intent(in) :: gout ! Outgoing Energy Group
real(8), intent(in) :: mu ! Angle of interest
@ -289,6 +288,6 @@ contains
f = (ONE - r) * this % data(imu, gout, gin) + &
r * this % data(imu + 1, gout, gin)
end function scattdata_tabular_calc_f
end function scattdatatabular_calc_f
end module scattdata_header

34
src/tracking.F90
View file

@ -1,23 +1,23 @@
module tracking
use constants, only: MODE_EIGENVALUE
use cross_section, only: calculate_xs
use error, only: fatal_error, warning
use geometry, only: find_cell, distance_to_boundary, cross_surface, &
cross_lattice, check_cell_overlap
use geometry_header, only: Universe, BASE_UNIVERSE
use constants, only: MODE_EIGENVALUE
use cross_section, only: calculate_xs
use error, only: fatal_error, warning
use geometry, only: find_cell, distance_to_boundary, cross_surface, &
cross_lattice, check_cell_overlap
use geometry_header, only: Universe, BASE_UNIVERSE
use global
use macroxs, only: calculate_mgxs
use output, only: write_message
use particle_header, only: LocalCoord, Particle
use physics, only: collision
use physics_mg, only: collision_mg
use random_lcg, only: prn
use string, only: to_str
use tally, only: score_analog_tally, score_tracklength_tally, &
score_collision_tally, score_surface_current
use track_output, only: initialize_particle_track, write_particle_track, &
add_particle_track, finalize_particle_track
use macroxs_operations, only: calculate_mgxs
use output, only: write_message
use particle_header, only: LocalCoord, Particle
use physics, only: collision
use physics_mg, only: collision_mg
use random_lcg, only: prn
use string, only: to_str
use tally, only: score_analog_tally, score_tracklength_tally, &
score_collision_tally, score_surface_current
use track_output, only: initialize_particle_track, write_particle_track, &
add_particle_track, finalize_particle_track
implicit none