Read URR data, log file creation.

.gitignore

@@ -0,0 +1,5 @@
+# Compiled objects and modules
+*.o
+*.mod
+# emacs backups
+*~

ChangeLog

@@ -1,3 +1,15 @@
+2011-06-22 Paul Romano <romano7@mit.edu>
+
+	* .gitignore: Specifies intentionally untracked files for git
+	version control
+	* src/ace.f90: Added capability to read unresolved resonance
+	probability tables.
+	* src/global.f90: Added log file unit.
+	* src/logging.f90: Added module for handling a log file.
+	* src/main.f90: Added call to create log.
+	* src/types.f90: Extended AceContinuous to handle unresolved
+	resonance probability table data.
+
 2011-04-25 Paul Romano <romano7@mit.edu>
 
 	* ace.f90: Fixed indentation of get_int and get_real. Added

src/Makefile

@@ -10,6 +10,7 @@ modules = 	ace.f90 \
 		fileio.f90 \
 		geometry.f90 \
 		global.f90 \
+		logging.f90 \
 		mcnp_random.f90 \
 		mpi_routines.f90 \
 		output.f90 \
@@ -28,7 +29,7 @@ test_objects = $(modules:.f90=.o) $(test:.f90=.o)
 F90 = ifort
 F90FLAGS = -g -fpp -traceback
 
-USE_MPI = yes
+USE_MPI = no
 
 ifeq ($(USE_MPI),yes)
   MPI = /opt/mpich2/1.3.3-gcc
@@ -68,9 +69,10 @@ energy_grid.o: global.o output.o data_structures.o
 fileio.o: types.o global.o string.o output.o data_structures.o
 geometry.o: types.o global.o output.o string.o data_structures.o
 global.o: types.o
+logging.o: global.o
 main.o: global.o fileio.o output.o geometry.o mcnp_random.o \
 		source.o physics.o cross_section.o data_structures.o \
-		ace.o energy_grid.o score.o
+		ace.o energy_grid.o score.o logging.o
 mpi_routines.o: global.o output.o types.o mcnp_random.o source.o
 output.o: global.o types.o data_structures.o endf.o
 physics.o: types.o global.o mcnp_random.o geometry.o output.o \

src/ace.f90

@@ -64,6 +64,7 @@ contains
                 mat%table(j) = dict_get_key(ace_dict, key)
              end if
           case ('t')
+             ! Need same logic as for continuous tables
              n_thermal = n_thermal + 1
           case default
              msg = "Unknown cross section table type: " // key
@@ -213,6 +214,7 @@ contains
     call read_reactions(table)
     call read_angular_dist(table)
     call read_energy_dist(table)
+    call read_unr_res(table)
 
     ! Free memory from XSS array
     if(allocated(XSS)) deallocate(XSS)
@@ -870,6 +872,63 @@ contains
 
   end function length_energy_dist
 
+!=====================================================================
+! READ_UNR_RES reads in unresolved resonance probability tables if
+! present.
+!=====================================================================
+
+  subroutine read_unr_res(table)
+
+    type(AceContinuous), pointer :: table
+
+    integer :: JXS23 ! location of URR data
+    integer :: loc   ! locator
+    integer :: N     ! # of incident energies
+    integer :: M     ! # of probabilities
+    integer :: i     ! index over incoming energies
+    integer :: j     ! index over values
+    integer :: k     ! index over cumulative probabilities
+
+    ! determine locator for URR data
+    JXS23 = JXS(23)
+
+    ! check if URR data is present
+    if (JXS23 /= 0) then
+       table % urr_present = .true.
+       allocate(table % urr_params(6))
+       loc = JXS23
+    else
+       table % urr_present = .false.
+       return
+    end if
+
+    ! read parameters
+    table % urr_params(1) = XSS(loc)     ! # of incident energies
+    table % urr_params(2) = XSS(loc + 1) ! # of probabilities
+    table % urr_params(3) = XSS(loc + 2) ! interpolation parameter
+    table % urr_params(4) = XSS(loc + 3) ! inelastic competition flag
+    table % urr_params(5) = XSS(loc + 4) ! other absorption flag
+    table % urr_params(6) = XSS(loc + 5) ! factors flag
+
+    ! allocate incident energies and probability tables
+    N = table % urr_params(1)
+    M = table % urr_params(2)
+    allocate(table % urr_energy(N))
+    allocate(table % urr_prob(N,6,M))
+
+    ! read incident energies
+    XSS_index = loc + 6
+    table % urr_energy = get_real(N)
+
+    ! read probability tables
+    do i = 1, N
+       do j = 1, 6
+          table % urr_prob(i,j,1:M) = get_real(M)
+       end do
+    end do
+
+  end subroutine read_unr_res
+
 !=====================================================================
 ! READ_ACE_THERMAL reads in a single ACE thermal scattering S(a,b)
 ! table. This routine in particular reads the header data and then

src/global.f90

@@ -85,6 +85,7 @@ module global
   character(100) :: & 
        & path_input,    &
        & path_xsdata
+  integer, parameter :: UNIT_LOG = 9 ! unit # for writing log file
 
   ! Physical constants
   real(8), parameter ::            &

src/logging.f90

@@ -0,0 +1,42 @@
+module logging
+
+  use global
+
+  implicit none
+
+contains
+
+!=====================================================================
+! CREATE_LOG creates a new log file (or overwrites the existing log)
+!=====================================================================
+
+  subroutine create_log()
+
+    character(100) :: path_log     ! path of log file
+    logical        :: file_exists  ! does log file already exist?
+    integer        :: ioError      ! error status for file access
+
+    ! Create filename for log file
+    path_log = trim(path_input) // ".log"
+
+    ! Check if log file already exists
+    inquire(FILE=path_log, EXIST=file_exists)
+    if (file_exists) then
+       ! Possibly copy old log file
+    end if
+
+    ! Open log file for writing
+    open(FILE=path_log, UNIT=UNIT_LOG, STATUS='replace', &
+         & ACTION='write', IOSTAT=ioError)
+
+  end subroutine create_log
+
+!=====================================================================
+! LOG_TALLIES
+!=====================================================================
+
+  subroutine log_tallies()
+
+  end subroutine log_tallies
+
+end module logging

src/main.f90

@@ -14,6 +14,7 @@ program main
   use energy_grid,   only: unionized_grid, original_indices
   use mpi_routines,  only: setup_mpi, synchronize_bank, t_sync
   use score,         only: calculate_keff
+  use logging,       only: create_log
 
 #ifdef MPI
   use mpi
@@ -28,9 +29,12 @@ program main
   ! Setup MPI
   call setup_mpi()
 
+  ! Read command line arguments
+  call read_command_line()
+  if (master) call create_log()
+
   ! Print the OpenMC title and version/date/time information
   if (master) call title()
-
   ! Initialize random number generator. The first argument corresponds
   ! to which random number generator to use- in this case one of the
   ! L'Ecuyer 63-bit RNGs.
@@ -39,9 +43,6 @@ program main
   ! Set default values for settings
   call set_defaults()
 
-  ! Read command line arguments
-  call read_command_line()
-
   ! Read input file -- make a first pass through the file to count
   ! cells, surfaces, etc in order to allocate arrays, then do a second
   ! pass to actually read values

src/types.f90

@@ -264,6 +264,12 @@ module types
      real(8), allocatable :: nu_d_precursor_data(:)
      type(AceDistEnergy), allocatable :: nu_d_edist(:)
 
+     ! Unresolved resonance data
+     logical :: urr_present
+     integer, allocatable :: urr_params(:)
+     real(8), allocatable :: urr_energy(:)
+     real(8), allocatable :: urr_prob(:,:,:)
+
      ! Reactions
      integer :: n_reaction
      type(AceReaction), pointer :: reactions(:) => null()