crp/OpenMC
1
0
Fork 0
mirror of https://github.com/openmc-dev/openmc.git synced 2026-07-26 13:15:39 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Merge remote-tracking branch 'upstream/develop' into labels

Browse source
This commit is contained in:
Will Boyd 2015-04-26 22:43:53 -04:00
commit 92eaa43320
12 changed files with 111 additions and 137 deletions
Download patch file Download diff file Expand all files Collapse all files

3
src/CMakeLists.txt
View file

@ -116,7 +116,8 @@ elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "PGI")
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "XL")
# IBM XL compiler options
set(f90flags "-WF,-DNO_F2008 -O2")
set(f90flags "-O2")
add_definitions(-DNO_F2008)
if(debug)
set(f90flags "-g -C -qflag=i:i -u")
set(ldflags "-g")

27
src/cross_section.F90
View file

@ -35,8 +35,7 @@ contains
integer :: j ! index in mat % i_sab_nuclides
real(8) :: atom_density ! atom density of a nuclide
logical :: check_sab ! should we check for S(a,b) table?
type(Material), pointer, save :: mat => null() ! current material
!$omp threadprivate(mat)
type(Material), pointer :: mat ! current material
! Set all material macroscopic cross sections to zero
material_xs % total = ZERO
@ -150,9 +149,8 @@ contains
integer :: u ! index into logarithmic mapping array
real(8), intent(in) :: E ! energy
real(8) :: f ! interp factor on nuclide energy grid
type(Nuclide), pointer, save :: nuc => null()
type(Material), pointer, save :: mat => null()
!$omp threadprivate(nuc, mat)
type(Nuclide), pointer :: nuc
type(Material), pointer :: mat
! Set pointer to nuclide and material
nuc => nuclides(i_nuclide)
@ -286,8 +284,7 @@ contains
real(8) :: f ! interp factor on S(a,b) energy grid
real(8) :: inelastic ! S(a,b) inelastic cross section
real(8) :: elastic ! S(a,b) elastic cross section
type(SAlphaBeta), pointer, save :: sab => null()
!$omp threadprivate(sab)
type(SAlphaBeta), pointer :: sab
! Set flag that S(a,b) treatment should be used for scattering
micro_xs(i_nuclide) % index_sab = i_sab
@ -379,10 +376,9 @@ contains
real(8) :: fission ! fission cross section
real(8) :: inelastic ! inelastic cross section
logical :: same_nuc ! do we know the xs for this nuclide at this energy?
type(UrrData), pointer, save :: urr => null()
type(Nuclide), pointer, save :: nuc => null()
type(Reaction), pointer, save :: rxn => null()
!$omp threadprivate(urr, nuc, rxn)
type(UrrData), pointer :: urr
type(Nuclide), pointer :: nuc
type(Reaction), pointer :: rxn
micro_xs(i_nuclide) % use_ptable = .true.
@ -528,12 +524,11 @@ contains
subroutine find_energy_index(E, i_mat)
real(8), intent(in) :: E ! energy of particle
integer, intent(in) :: i_mat ! material index
type(Material), pointer, save :: mat => null() ! pointer to current material
!$omp threadprivate(mat)
real(8), intent(in) :: E ! energy of particle
integer, intent(in) :: i_mat ! material index
type(Material), pointer :: mat ! pointer to current material
mat => materials(i_mat)
mat => materials(i_mat)
! if the energy is outside of energy grid range, set to first or last
! index. Otherwise, do a binary search through the union energy grid.

26
src/energy_grid.F90
View file

@ -26,10 +26,9 @@ contains
integer :: i ! index in nuclides array
integer :: j ! index in materials array
type(ListReal), pointer, save :: list => null()
type(Nuclide), pointer, save :: nuc => null()
type(Material), pointer, save :: mat => null()
!$omp threadprivate(list, nuc, mat)
type(ListReal) :: list
type(Nuclide), pointer :: nuc
type(Material), pointer :: mat
call write_message("Creating unionized energy grid...", 5)
@ -52,7 +51,6 @@ contains
! delete linked list and dictionary
call list % clear()
deallocate(list)
end do
! Set pointers to unionized energy grid for each nuclide
@ -72,7 +70,7 @@ contains
real(8) :: E_max ! Maximum energy in MeV
real(8) :: E_min ! Minimum energy in MeV
real(8), allocatable :: umesh(:) ! Equally log-spaced energy grid
type(Nuclide), pointer :: nuc => null()
type(Nuclide), pointer :: nuc
! Set minimum/maximum energies
E_max = 20.0_8
@ -116,7 +114,7 @@ contains
subroutine add_grid_points(list, energy)
type(ListReal), pointer :: list
type(ListReal) :: list
real(8), intent(in) :: energy(:)
integer :: i ! index in energy array
@ -127,16 +125,6 @@ contains
i = 1
n = size(energy)
! If the original list is empty, we need to allocate the first element and
! store first energy point
if (.not. associated(list)) then
allocate(list)
do i = 1, n
call list % append(energy(i))
end do
return
end if
! Set current index to beginning of the list
current = 1
@ -189,8 +177,8 @@ contains
integer :: index_e ! index on union energy grid
real(8) :: union_energy ! energy on union grid
real(8) :: energy ! energy on nuclide grid
type(Nuclide), pointer :: nuc => null()
type(Material), pointer :: mat => null()
type(Nuclide), pointer :: nuc
type(Material), pointer :: mat
do k = 1, n_materials
mat => materials(k)

54
src/geometry.F90
View file

@ -30,8 +30,7 @@ contains
integer :: i_surface ! index in surfaces array (with sign)
logical :: specified_sense ! specified sense of surface in list
logical :: actual_sense ! sense of particle wrt surface
type(Surface), pointer, save :: s => null()
!$omp threadprivate(s)
type(Surface), pointer :: s
SURFACE_LOOP: do i = 1, c % n_surfaces
! Lookup surface
@ -79,10 +78,9 @@ contains
integer :: i ! cell loop index on a level
integer :: n ! number of cells to search on a level
integer :: index_cell ! index in cells array
type(Cell), pointer, save :: c => null() ! pointer to cell
type(Universe), pointer, save :: univ => null() ! universe to search in
type(LocalCoord), pointer, save :: coord => null() ! particle coordinate to search on
!$omp threadprivate(c, univ, coord)
type(Cell), pointer :: c ! pointer to cell
type(Universe), pointer :: univ ! universe to search in
type(LocalCoord), pointer :: coord ! particle coordinate to search on
coord => p % coord0
@ -132,15 +130,14 @@ contains
logical, intent(inout) :: found
integer, optional :: search_cells(:)
integer :: i ! index over cells
integer :: i_xyz(3) ! indices in lattice
integer :: n ! number of cells to search
integer :: index_cell ! index in cells array
logical :: use_search_cells ! use cells provided as argument
type(Cell), pointer, save :: c => null() ! pointer to cell
class(Lattice), pointer, save :: lat => null() ! pointer to lattice
type(Universe), pointer, save :: univ => null() ! universe to search in
!$omp threadprivate(c, lat, univ)
integer :: i ! index over cells
integer :: i_xyz(3) ! indices in lattice
integer :: n ! number of cells to search
integer :: index_cell ! index in cells array
logical :: use_search_cells ! use cells provided as argument
type(Cell), pointer :: c ! pointer to cell
class(Lattice), pointer :: lat ! pointer to lattice
type(Universe), pointer :: univ ! universe to search in
! Remove coordinates for any lower levels
call deallocate_coord(p % coord % next)
@ -294,8 +291,7 @@ contains
real(8) :: norm ! "norm" of surface normal
integer :: i_surface ! index in surfaces
logical :: found ! particle found in universe?
type(Surface), pointer, save :: surf => null()
!$omp threadprivate(surf)
type(Surface), pointer :: surf
i_surface = abs(p % surface)
surf => surfaces(i_surface)
@ -575,9 +571,8 @@ contains
integer :: i_xyz(3) ! indices in lattice
logical :: found ! particle found in cell?
class(Lattice), pointer, save :: lat => null()
type(LocalCoord), pointer, save :: parent_coord => null()
!$omp threadprivate(lat, parent_coord)
class(Lattice), pointer :: lat
type(LocalCoord), pointer :: parent_coord
lat => lattices(p % coord % lattice) % obj
@ -598,9 +593,9 @@ contains
p % coord % lattice_x = p % coord % lattice_x + lattice_translation(1)
p % coord % lattice_y = p % coord % lattice_y + lattice_translation(2)
p % coord % lattice_z = p % coord % lattice_z + lattice_translation(3)
i_xyz(1) = p % coord % lattice_x
i_xyz(2) = p % coord % lattice_y
i_xyz(3) = p % coord % lattice_z
i_xyz(1) = p % coord % lattice_x
i_xyz(2) = p % coord % lattice_y
i_xyz(3) = p % coord % lattice_z
! Set the new coordinate position.
p % coord % xyz = lat % get_local_xyz(parent_coord % xyz, i_xyz)
@ -676,13 +671,12 @@ contains
real(8) :: a,b,c,k ! quadratic equation coefficients
real(8) :: quad ! discriminant of quadratic equation
logical :: on_surface ! is particle on surface?
type(Cell), pointer, save :: cl => null()
type(Surface), pointer, save :: surf => null()
class(Lattice), pointer, save :: lat => null()
type(LocalCoord), pointer, save :: coord => null()
type(LocalCoord), pointer, save :: final_coord => null()
type(LocalCoord), pointer, save :: parent_coord => null()
!$omp threadprivate(cl, surf, lat, coord, final_coord, parent_coord)
type(Cell), pointer :: cl
type(Surface), pointer :: surf
class(Lattice), pointer :: lat
type(LocalCoord), pointer :: coord
type(LocalCoord), pointer :: final_coord
type(LocalCoord), pointer :: parent_coord
! inialize distance to infinity (huge)
dist = INFINITY

31
src/physics.F90
View file

@ -74,8 +74,7 @@ contains
integer :: i_nuclide ! index in nuclides array
integer :: i_reaction ! index in nuc % reactions array
type(Nuclide), pointer, save :: nuc => null()
!$omp threadprivate(nuc)
type(Nuclide), pointer :: nuc
i_nuclide = sample_nuclide(p, 'total ')
@ -133,8 +132,7 @@ contains
real(8) :: cutoff
real(8) :: atom_density ! atom density of nuclide in atom/b-cm
real(8) :: sigma ! microscopic total xs for nuclide
type(Material), pointer, save :: mat => null()
!$omp threadprivate(mat)
type(Material), pointer :: mat
! Get pointer to current material
mat => materials(p % material)
@ -195,9 +193,8 @@ contains
real(8) :: f
real(8) :: prob
real(8) :: cutoff
type(Nuclide), pointer, save :: nuc => null()
type(Reaction), pointer, save :: rxn => null()
!$omp threadprivate(nuc, rxn)
type(Nuclide), pointer :: nuc
type(Reaction), pointer :: rxn
! Get pointer to nuclide
nuc => nuclides(i_nuclide)
@ -313,9 +310,8 @@ contains
real(8) :: f
real(8) :: prob
real(8) :: cutoff
type(Nuclide), pointer, save :: nuc => null()
type(Reaction), pointer, save :: rxn => null()
!$omp threadprivate(nuc, rxn)
type(Nuclide), pointer :: nuc
type(Reaction), pointer :: rxn
! Get pointer to nuclide and grid index/interpolation factor
nuc => nuclides(i_nuclide)
@ -418,8 +414,7 @@ contains
real(8) :: v_cm(3) ! velocity of center-of-mass
real(8) :: v_t(3) ! velocity of target nucleus
real(8) :: uvw_cm(3) ! directional cosines in center-of-mass
type(Nuclide), pointer, save :: nuc => null()
!$omp threadprivate(nuc)
type(Nuclide), pointer :: nuc
! get pointer to nuclide
nuc => nuclides(i_nuclide)
@ -497,7 +492,7 @@ contains
real(8) :: mu_ijk ! outgoing cosine k for E_in(i) and E_out(j)
real(8) :: mu_i1jk ! outgoing cosine k for E_in(i+1) and E_out(j)
real(8) :: prob ! probability for sampling Bragg edge
type(SAlphaBeta), pointer, save :: sab => null()
type(SAlphaBeta), pointer :: sab
! Following are needed only for SAB_SECONDARY_CONT scattering
integer :: l ! sampled incoming E bin (is i or i + 1)
real(8) :: E_i_1, E_i_J ! endpoints on outgoing grid i
@ -509,8 +504,6 @@ contains
real(8) :: frac ! interpolation factor on outgoing energy
real(8) :: r1 ! RNG for outgoing energy
!$omp threadprivate(sab)
! Get pointer to S(a,b) table
sab => sab_tables(i_sab)
@ -1067,9 +1060,8 @@ contains
real(8) :: phi ! fission neutron azimuthal angle
real(8) :: weight ! weight adjustment for ufs method
logical :: in_mesh ! source site in ufs mesh?
type(Nuclide), pointer, save :: nuc => null()
type(Reaction), pointer, save :: rxn => null()
!$omp threadprivate(nuc, rxn)
type(Nuclide), pointer :: nuc
type(Reaction), pointer :: rxn
! Get pointers
nuc => nuclides(i_nuclide)
@ -1175,8 +1167,7 @@ contains
real(8) :: xi ! random number
real(8) :: yield ! delayed neutron precursor yield
real(8) :: prob ! cumulative probability
type(DistEnergy), pointer, save :: edist => null()
!$omp threadprivate(edist)
type(DistEnergy), pointer :: edist
! Determine total nu
nu_t = nu_total(nuc, E)

3
src/source.F90
View file

@ -256,8 +256,7 @@ contains
integer(8) :: particle_seed ! unique index for particle
integer :: i
type(Bank), pointer, save :: src => null()
!$omp threadprivate(src)
type(Bank), pointer :: src
! set defaults
call p % initialize()

4
src/string.F90
View file

@ -151,7 +151,7 @@ contains
! TO_LOWER converts a string to all lower case characters
!===============================================================================
elemental function to_lower(word) result(word_lower)
function to_lower(word) result(word_lower)
character(*), intent(in) :: word
character(len=len(word)) :: word_lower
@ -174,7 +174,7 @@ contains
! TO_UPPER converts a string to all upper case characters
!===============================================================================
elemental function to_upper(word) result(word_upper)
function to_upper(word) result(word_upper)
character(*), intent(in) :: word
character(len=len(word)) :: word_upper

43
src/tally.F90
View file

@ -58,9 +58,8 @@ contains
real(8) :: macro_total ! material macro total xs
real(8) :: macro_scatt ! material macro scatt xs
real(8) :: uvw(3) ! particle direction
type(Material), pointer, save :: mat => null()
type(Reaction), pointer, save :: rxn => null()
!$omp threadprivate(mat, rxn)
type(Material), pointer :: mat
type(Reaction), pointer :: rxn
i = 0
SCORE_LOOP: do q = 1, t % n_user_score_bins
@ -530,8 +529,7 @@ contains
real(8) :: wgt ! post-collision particle weight
real(8) :: mu ! cosine of angle of collision
logical :: found_bin ! scoring bin found?
type(TallyObject), pointer, save :: t => null()
!$omp threadprivate(t)
type(TallyObject), pointer :: t
! Copy particle's pre- and post-collision weight and angle
last_wgt = p % last_wgt
@ -701,9 +699,8 @@ contains
real(8) :: flux ! tracklength estimate of flux
real(8) :: atom_density ! atom density of single nuclide in atom/b-cm
logical :: found_bin ! scoring bin found?
type(TallyObject), pointer, save :: t => null()
type(Material), pointer, save :: mat => null()
!$omp threadprivate(t, mat)
type(TallyObject), pointer :: t
type(Material), pointer :: mat
! Determine track-length estimate of flux
flux = p % wgt * distance
@ -810,9 +807,8 @@ contains
integer :: i ! loop index for nuclides in material
integer :: i_nuclide ! index in nuclides array
real(8) :: atom_density ! atom density of single nuclide in atom/b-cm
type(TallyObject), pointer, save :: t => null()
type(Material), pointer, save :: mat => null()
!$omp threadprivate(t, mat)
type(TallyObject), pointer :: t
type(Material), pointer :: mat
! Get pointer to tally
t => tallies(i_tally)
@ -883,11 +879,10 @@ contains
logical :: found_bin ! was a scoring bin found?
logical :: start_in_mesh ! starting coordinates inside mesh?
logical :: end_in_mesh ! ending coordinates inside mesh?
type(TallyObject), pointer, save :: t => null()
type(StructuredMesh), pointer, save :: m => null()
type(Material), pointer, save :: mat => null()
type(LocalCoord), pointer, save :: coord => null()
!$omp threadprivate(t, m, mat, coord)
type(TallyObject), pointer :: t
type(StructuredMesh), pointer :: m
type(Material), pointer :: mat
type(LocalCoord), pointer :: coord
t => tallies(i_tally)
matching_bins(1:t%n_filters) = 1
@ -1115,10 +1110,9 @@ contains
integer :: i ! loop index for filters
integer :: n ! number of bins for single filter
real(8) :: E ! particle energy
type(TallyObject), pointer, save :: t => null()
type(StructuredMesh), pointer, save :: m => null()
type(LocalCoord), pointer, save :: coord => null()
!$omp threadprivate(t, m, coord)
type(TallyObject), pointer :: t
type(StructuredMesh), pointer :: m
type(LocalCoord), pointer :: coord
found_bin = .true.
t => tallies(i_tally)
@ -1246,9 +1240,8 @@ contains
logical :: x_same ! same starting/ending x index (i)
logical :: y_same ! same starting/ending y index (j)
logical :: z_same ! same starting/ending z index (k)
type(TallyObject), pointer, save :: t => null()
type(StructuredMesh), pointer, save :: m => null()
!$omp threadprivate(t, m)
type(TallyObject), pointer :: t
type(StructuredMesh), pointer :: m
TALLY_LOOP: do i = 1, active_current_tallies % size()
! Copy starting and ending location of particle
@ -1647,7 +1640,7 @@ contains
real(8), allocatable :: tally_temp(:,:) ! contiguous array of results
real(8) :: global_temp(N_GLOBAL_TALLIES)
real(8) :: dummy ! temporary receive buffer for non-root reduces
type(TallyObject), pointer :: t => null()
type(TallyObject), pointer :: t
do i = 1, active_tallies % size()
t => tallies(active_tallies % get_item(i))
@ -1741,7 +1734,7 @@ contains
subroutine tally_statistics()
integer :: i ! index in tallies array
type(TallyObject), pointer :: t => null()
type(TallyObject), pointer :: t
! Calculate statistics for user-defined tallies
do i = 1, n_tallies

3
src/tracking.F90
View file

@ -36,8 +36,7 @@ contains
real(8) :: d_collision ! sampled distance to collision
real(8) :: distance ! distance particle travels
logical :: found_cell ! found cell which particle is in?
type(LocalCoord), pointer, save :: coord => null()
!$omp threadprivate(coord)
type(LocalCoord), pointer :: coord
! Display message if high verbosity or trace is on
if (verbosity >= 9 .or. trace) then

4
src/utils/openmc/cmfd.py
View file

@ -514,8 +514,8 @@ class CMFDFile(object):
self._norm = norm
@snes_monitor.setter
def snum_flushes(self, num_flushes):
@num_flushes.setter
def num_flushes(self, num_flushes):
if not is_integer(num_flushes):
msg = 'Unable to set the CMFD number of flushes to {0} ' \

16
src/utils/openmc/material.py
View file

@ -189,23 +189,27 @@ class Material(object):
def add_nuclide(self, nuclide, percent, percent_type='ao'):
if not isinstance(nuclide, openmc.Nuclide):
msg = 'Unable to add an Nuclide to Material ID={0} with a ' \
if not isinstance(nuclide, (openmc.Nuclide, str)):
msg = 'Unable to add a Nuclide to Material ID={0} with a ' \
'non-Nuclide value {1}'.format(self._id, nuclide)
raise ValueError(msg)
elif not is_float(percent):
msg = 'Unable to add an Nuclide to Material ID={0} with a ' \
msg = 'Unable to add a Nuclide to Material ID={0} with a ' \
'non-floating point value {1}'.format(self._id, percent)
raise ValueError(msg)
elif not percent_type in ['ao', 'wo', 'at/g-cm']:
msg = 'Unable to add an Nuclide to Material ID={0} with a ' \
msg = 'Unable to add a Nuclide to Material ID={0} with a ' \
'percent type {1}'.format(self._id, percent_type)
raise ValueError(msg)
# Copy this Nuclide to separate it from the Nuclide in other Materials
nuclide = deepcopy(nuclide)
if isinstance(nuclide, openmc.Nuclide):
# Copy this Nuclide to separate it from the Nuclide in
# other Materials
nuclide = deepcopy(nuclide)
else:
nuclide = openmc.Nuclide(nuclide)
self._nuclides[nuclide._name] = (nuclide, percent, percent_type)

34
src/utils/openmc/universe.py
View file

@ -114,23 +114,30 @@ class Cell(object):
@fill.setter
def fill(self, fill):
if not isinstance(fill, (openmc.Material, Universe, Lattice)) \
and fill != 'void':
if isinstance(fill, str):
if fill.strip().lower() == 'void':
self._type = 'void'
else:
msg = 'Unable to set Cell ID={0} to use a non-Material or ' \
'Universe fill {1}'.format(self._id, fill)
raise ValueError(msg)
elif isinstance(fill, openmc.Material):
self._type = 'normal'
elif isinstance(fill, Universe):
self._type = 'fill'
elif isinstance(fill, Lattice):
self._type = 'lattice'
else:
msg = 'Unable to set Cell ID={0} to use a non-Material or ' \
'Universe fill {1}'.format(self._id, fill)
raise ValueError(msg)
self._fill = fill
if isinstance(fill, Lattice):
self._type = 'lattice'
elif isinstance(fill, Universe):
self._type = 'fill'
elif fill == 'void':
self._type = 'normal'
else:
self._type = 'normal'
@rotation.setter
def rotation(self, rotation):
@ -247,7 +254,7 @@ class Cell(object):
path = path[1:]
# If the Cell is filled by a Material
if self._type == 'normal':
if self._type == 'normal' or self._type == 'void':
offset = 0
# If the Cell is filled by a Universe
@ -348,6 +355,9 @@ class Cell(object):
element.set("fill", str(self._fill._id))
self._fill.create_xml_subelement(xml_element)
elif self._fill.strip().lower() == "void":
element.set("material", "void")
else:
element.set("fill", str(self._fill))
self._fill.create_xml_subelement(xml_element)