From 96a66789b11ca3e96b72ed7631939f2c198294ce Mon Sep 17 00:00:00 2001
From: Paul Romano <paul.k.romano@gmail.com>
Date: Mon, 24 Aug 2020 13:48:21 -0500
Subject: [PATCH] Activate need_depletion_rx for reaction rate-based depletion
 only

---
 include/openmc/tallies/tally.h |  2 --
 openmc/deplete/helpers.py      |  3 +++
 openmc/lib/settings.py         |  5 +++--
 src/finalize.cpp               |  1 +
 src/simulation.cpp             |  2 --
 src/tallies/tally.cpp          | 13 -------------
 6 files changed, 7 insertions(+), 19 deletions(-)

diff --git a/include/openmc/tallies/tally.h b/include/openmc/tallies/tally.h
index c19ceb2af..a87946bf7 100644
--- a/include/openmc/tallies/tally.h
+++ b/include/openmc/tallies/tally.h
@@ -119,8 +119,6 @@ public:
   int energyout_filter_ {C_NONE};
   int delayedgroup_filter_ {C_NONE};
 
-  bool depletion_rx_ {false}; //!< Has depletion reactions (e.g. (n,2n))
-
   std::vector<Trigger> triggers_;
 
   int deriv_ {C_NONE}; //!< Index of a TallyDerivative object for diff tallies.
diff --git a/openmc/deplete/helpers.py b/openmc/deplete/helpers.py
index c2ddb0e9e..fd3f8d3b0 100644
--- a/openmc/deplete/helpers.py
+++ b/openmc/deplete/helpers.py
@@ -48,6 +48,9 @@ class DirectReactionRateHelper(ReactionRateHelper):
         super().__init__(n_nuc, n_react)
         self._rate_tally = None
 
+        # Automatically pre-calculate reaction rates for depletion
+        openmc.lib.settings.need_depletion_rx = True
+
     @ReactionRateHelper.nuclides.setter
     def nuclides(self, nuclides):
         ReactionRateHelper.nuclides.fset(self, nuclides)
diff --git a/openmc/lib/settings.py b/openmc/lib/settings.py
index 573303857..1eab4aa8a 100644
--- a/openmc/lib/settings.py
+++ b/openmc/lib/settings.py
@@ -27,12 +27,13 @@ class _Settings:
     generations_per_batch = _DLLGlobal(c_int32, 'gen_per_batch')
     inactive = _DLLGlobal(c_int32, 'n_inactive')
     max_lost_particles = _DLLGlobal(c_int32, 'max_lost_particles')
-    rel_max_lost_particles = _DLLGlobal(c_double, 'rel_max_lost_particles')
+    need_depletion_rx = _DLLGlobal(c_bool, 'need_depletion_rx')
+    output_summary = _DLLGlobal(c_bool, 'output_summary')
     particles = _DLLGlobal(c_int64, 'n_particles')
+    rel_max_lost_particles = _DLLGlobal(c_double, 'rel_max_lost_particles')
     restart_run = _DLLGlobal(c_bool, 'restart_run')
     run_CE = _DLLGlobal(c_bool, 'run_CE')
     verbosity = _DLLGlobal(c_int, 'verbosity')
-    output_summary = _DLLGlobal(c_bool, 'output_summary')
 
     @property
     def run_mode(self):
diff --git a/src/finalize.cpp b/src/finalize.cpp
index bf9b437e8..fc0775ded 100644
--- a/src/finalize.cpp
+++ b/src/finalize.cpp
@@ -119,6 +119,7 @@ int openmc_finalize()
 
   simulation::keff = 1.0;
   simulation::n_lost_particles = 0;
+  simulation::need_depletion_rx = false;
   simulation::satisfy_triggers = false;
   simulation::total_gen = 0;
 
diff --git a/src/simulation.cpp b/src/simulation.cpp
index c8115ae37..c95c0386c 100644
--- a/src/simulation.cpp
+++ b/src/simulation.cpp
@@ -107,7 +107,6 @@ int openmc_simulation_init()
   simulation::current_batch = 0;
   simulation::k_generation.clear();
   simulation::entropy.clear();
-  simulation::need_depletion_rx = false;
   openmc_reset();
 
   // If this is a restart run, load the state point data and binary source
@@ -190,7 +189,6 @@ int openmc_simulation_finalize()
   if (settings::check_overlaps) print_overlap_check();
 
   // Reset flags
-  simulation::need_depletion_rx = false;
   simulation::initialized = false;
   return 0;
 }
diff --git a/src/tallies/tally.cpp b/src/tallies/tally.cpp
index 0131592f8..a4e10ebb7 100644
--- a/src/tallies/tally.cpp
+++ b/src/tallies/tally.cpp
@@ -377,7 +377,6 @@ Tally::set_scores(const std::vector<std::string>& scores)
 {
   // Reset state and prepare for the new scores.
   scores_.clear();
-  depletion_rx_ = false;
   scores_.reserve(scores.size());
 
   // Check for the presence of certain restrictive filters.
@@ -449,15 +448,6 @@ Tally::set_scores(const std::vector<std::string>& scores)
       }
       break;
 
-    case N_2N:
-    case N_3N:
-    case N_4N:
-    case N_GAMMA:
-    case N_P:
-    case N_A:
-      depletion_rx_ = true;
-      break;
-
     case SCORE_CURRENT:
       // Check which type of current is desired: mesh or surface currents.
       if (surface_present || cell_present || cellfrom_present) {
@@ -859,9 +849,6 @@ setup_active_tallies()
       case TallyType::SURFACE:
         model::active_surface_tallies.push_back(i);
       }
-
-      // Check if tally contains depletion reactions and if so, set flag
-      if (tally.depletion_rx_) simulation::need_depletion_rx = true;
     }
   }
 }