Merge branch 'master' into lost_particle_plotting01

docs/source/releasenotes/notes_0.5.2.rst

@@ -19,7 +19,7 @@ New Features
 
 - Python script for mesh tally plotting
 - Isotopic abundances based on IUPAC 2009 when using <element>
-- Particle restart file
+- Particle restart files for debugging
 - Code will abort after certain number of lost particles (defaults to 10)
 - Region outside lattice can be filled with material (void by default)
 - 3D voxel plots
@@ -41,6 +41,7 @@ Bug Fixes
 - a3c593_: Fixed bug in use of free gas scattering for H-1.
 - 3a66e3_: Fixed bug in 2D mesh tally implementation.
 - ab0793_: Corrected PETSC_NULL references to their correct types.
+- 182ebd_: Use analog estimator with energyout filter.
 
 .. _7632f3: https://github.com/mit-crpg/openmc/commit/7632f3
 .. _f85ac4: https://github.com/mit-crpg/openmc/commit/f85ac4
@@ -53,3 +54,4 @@ Bug Fixes
 .. _a3c593: https://github.com/mit-crpg/openmc/commit/a3c593
 .. _3a66e3: https://github.com/mit-crpg/openmc/commit/3a66e3
 .. _ab0793: https://github.com/mit-crpg/openmc/commit/ab0793
+.. _182ebd: https://github.com/mit-crpg/openmc/commit/182ebd

docs/source/usersguide/install.rst

@@ -239,7 +239,8 @@ Cross Section Configuration
 In order to run a simulation with OpenMC, you will need cross section data for
 each nuclide in your problem. Since OpenMC uses ACE format cross sections, you
 can use nuclear data that was processed with NJOY, such as that distributed with
-MCNP_ or Serpent_.
+MCNP_ or Serpent_. The TALYS-based evaluated nuclear data library, TENDL_, is
+openly available in ACE format.
 
 Using JEFF Cross Sections from OECD/NEA
 ---------------------------------------
@@ -292,6 +293,7 @@ file.
 .. _here: http://www.oecd-nea.org/dbdata/pubs/jeff312-cd.html
 .. _MCNP: http://mcnp.lanl.gov
 .. _Serpent: http://montecarlo.vtt.fi
+.. _TENDL: ftp://ftp.nrg.eu/pub/www/talys/tendl2012/tendl2012.html
 
 --------------
 Running OpenMC

src/Makefile

@@ -259,7 +259,6 @@ neat:
 # Rules
 #===============================================================================
 
-.SUFFIXES: .F90 .o
 .PHONY: all xml-fortran install uninstall clean neat distclean 
 
 %.o: %.F90

src/cmfd_execute.F90

@@ -36,11 +36,6 @@ contains
                                       cmfd_act_flush, current_batch, keff,      &
                                       n_batches, message, master, mpi_err, rank
 
-    logical :: leave_cmfd
-
-    ! set leave cmfd to false
-    leave_cmfd = .false.
-
     ! stop cmfd timer
     if (master) then
       call time_cmfd % start()
@@ -60,17 +55,6 @@ contains
 
     end if
 
-    ! check to hold weights
-    if (cmfd_hold_weights) then
-      message = 'Not Modifying Weights - Albedo estimate not good, increase batch size.'
-      call warning() 
-      cmfd_hold_weights = .false.
-      if (cmfd_feedback) call cmfd_reweight(.false.)
-      leave_cmfd = .true. 
-    end if
-    call MPI_BCAST(leave_cmfd, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, mpi_err)
-    if (leave_cmfd) return
-
     ! filter processors (lowest PETSc group)
     if (rank < n_procs_cmfd) then
 
@@ -100,19 +84,6 @@ contains
 
     end if
 
-    ! check to hold weights
-    if ((abs(cmfd%keff-keff)/keff > cmfd_keff_tol)) then
-      if (current_batch >= cmfd_inact_flush(1) .or. &
-           current_batch >= cmfd_act_flush - 1 ) then
-        message = 'Not Modifying Weights - keff %diff > 0.005, up batch size'
-        call warning() 
-        if (cmfd_feedback) call cmfd_reweight(.false.)
-        leave_cmfd = .true.
-      end if
-    end if
-    call MPI_BCAST(leave_cmfd, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, mpi_err)
-    if (leave_cmfd) return
-
     ! calculate fission source
     call calc_fission_source()
 

src/geometry.F90

@@ -555,7 +555,8 @@ contains
       end select
 
       ! Set new particle direction
-      p % coord0 % uvw = (/ u, v, w /)
+      norm = sqrt(u*u + v*v + w*w)
+      p % coord0 % uvw = [u, v, w] / norm
 
       ! Reassign particle's cell and surface
       p % coord0 % cell = last_cell

src/input_xml.F90

@@ -1764,6 +1764,9 @@ contains
                    tally_(i) % filter(j) % bins(k))
             end do
 
+            ! Set to analog estimator
+            t % estimator = ESTIMATOR_ANALOG
+
           case default
             ! Specified tally filter is invalid, raise error
             message = "Unknown filter type '" // trim(tally_(i) % &
@@ -1975,6 +1978,7 @@ contains
             end if
           case ('scatter')
             t % score_bins(j) = SCORE_SCATTER
+            
           case ('nu-scatter')
             t % score_bins(j) = SCORE_NU_SCATTER
 
@@ -2565,7 +2569,9 @@ contains
 
        ! create dictionary entry for both name and alias
        call xs_listing_dict % add_key(listing % name, i)
-       call xs_listing_dict % add_key(listing % alias, i)
+       if (listing % alias /= '') then
+         call xs_listing_dict % add_key(listing % alias, i)
+       end if
     end do
 
   end subroutine read_cross_sections_xml

src/output.F90

@@ -186,10 +186,11 @@ contains
 
     integer, optional :: level ! verbosity level
 
-    integer :: i_start   ! starting position
-    integer :: i_end     ! ending position
-    integer :: line_wrap ! length of line
-    integer :: length    ! length of message
+    integer :: i_start    ! starting position
+    integer :: i_end      ! ending position
+    integer :: line_wrap  ! length of line
+    integer :: length     ! length of message
+    integer :: last_space ! index of last space (relative to start)
 
     ! Set length of line
     line_wrap = 80
@@ -210,11 +211,17 @@ contains
 
         else
           ! Determine last space in current line
-          i_end = i_start + index(message(i_start+1:i_start+line_wrap), &
+          last_space = index(message(i_start+1:i_start+line_wrap), &
                ' ', BACK=.true.)
+          if (last_space == 0) then 
+            i_end = min(length + 1, i_start+line_wrap) - 1
+            write(ou, fmt='(1X,A)') message(i_start+1:i_end)
+          else
+            i_end = i_start + last_space
+            write(ou, fmt='(1X,A)') message(i_start+1:i_end-1)
+          end if
 
           ! Write up to last space
-          write(ou, fmt='(1X,A)') message(i_start+1:i_end-1)
 
           ! Advance starting position
           i_start = i_end
@@ -1420,16 +1427,20 @@ contains
              gen_per_batch) / time_active % elapsed
       end if
     else
-      speed_inactive = real(n_particles * n_inactive * gen_per_batch) / &
-           time_inactive % elapsed
+      if (n_inactive > 0) then
+        speed_inactive = real(n_particles * n_inactive * gen_per_batch) / &
+             time_inactive % elapsed
+      end if
       speed_active = real(n_particles * n_active * gen_per_batch) / &
            time_active % elapsed
     end if
 
     ! display calculation rate
-    string = to_str(speed_inactive)
-    if (.not. (restart_run .and. (restart_batch >= n_inactive))) &
-         write(ou,101) "Calculation Rate (inactive)", trim(string)
+    if (.not. (restart_run .and. (restart_batch >= n_inactive)) &
+         .and. n_inactive > 0) then
+      string = to_str(speed_inactive)
+      write(ou,101) "Calculation Rate (inactive)", trim(string)
+    end if
     string = to_str(speed_active)
     write(ou,101) "Calculation Rate (active)", trim(string)
 

src/templates/cross_sections_t.xml

@@ -7,7 +7,7 @@
 
   <typedef name="ace_table_xml">
     <component name="name" type="word" length="15" />
-    <component name="alias" type="word" length="15" />
+    <component name="alias" type="word" length="15" default="''" />
     <component name="type" type="word" length="10" default="'neutron'" />
     <component name="zaid" type="integer" default="0" />
     <component name="metastable" type="integer" default="0" />