shuffling the full list of particles for intra-species binary collisi…

…ons (ECP-WarpX#5045) * shuffling the full list of particles for intra-species binary collisions * fixing merge issue with collision json files. * moved checksum to before error assert for intraspecies DD fusion regression test analysis script. * updating benchmark values for DD_fusion_3D_intraspecies. * adding fixed random seed to DD_3D_intraspecies fusion regression test. * putting checksum back after assert. * adjusting json. * updating json.
JustinRayAngus · Jul 12, 2024 · dc087bf · dc087bf
1 parent 63bedff
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diff --git a/Examples/Tests/nuclear_fusion/analysis_deuterium_deuterium_3d_intraspecies.py b/Examples/Tests/nuclear_fusion/analysis_deuterium_deuterium_3d_intraspecies.py
@@ -47,7 +47,9 @@
 
 sigma_th = 2.603e-18
 error = np.abs(sigma-sigma_th)/sigma_th
-tolerance = 1e-2
+tolerance = 2e-2
+print('error = ', error)
+print('tolerance = ', tolerance)
 assert error < tolerance
 
 # Compare checksums with benchmark

diff --git a/Examples/Tests/nuclear_fusion/inputs_deuterium_deuterium_3d_intraspecies b/Examples/Tests/nuclear_fusion/inputs_deuterium_deuterium_3d_intraspecies
@@ -8,6 +8,8 @@
 #     plasma simulations. Journal of Computational Physics, 388, pp.439-453.
 #     DOI: https://doi.org/10.1016/j.jcp.2019.03.020
 
+warpx.random_seed = 1034958209
+
 # algo
 algo.particle_shape = 3
 

diff --git a/Regression/Checksum/benchmarks_json/Deuterium_Deuterium_Fusion_3D_intraspecies.json b/Regression/Checksum/benchmarks_json/Deuterium_Deuterium_Fusion_3D_intraspecies.json
@@ -1,34 +1,34 @@
 {
   "lev=0": {
     "rho": 0.0,
-    "rho_deuterium": 8203144355.71195,
-    "rho_helium3": 10.368009592276463
+    "rho_deuterium": 8203144355.767546,
+    "rho_helium3": 10.312416024595505
   },
   "neutron": {
-    "particle_momentum_x": 2.2543499835759282e-15,
-    "particle_momentum_y": 2.2526527390783875e-15,
-    "particle_momentum_z": 2.2619641737859965e-15,
-    "particle_position_x": 61.961041864660686,
-    "particle_position_y": 61.78141653674165,
-    "particle_position_z": 61.741022731492514,
-    "particle_weight": 505562702.7678892
+    "particle_momentum_x": 2.260586487910896e-15,
+    "particle_momentum_y": 2.2564723094408887e-15,
+    "particle_momentum_z": 2.263164930227645e-15,
+    "particle_position_x": 62.03084683414219,
+    "particle_position_y": 61.95011296352698,
+    "particle_position_z": 62.02404756675538,
+    "particle_weight": 502851860.91505826
   },
   "deuterium": {
-    "particle_momentum_x": 1.3370046499332103e-14,
-    "particle_momentum_y": 1.3364310231320824e-14,
-    "particle_momentum_z": 1.3372728873714894e-14,
-    "particle_position_x": 2560.1613417364665,
-    "particle_position_y": 2560.082464065988,
-    "particle_position_z": 2560.0018477161034,
-    "particle_weight": 7.999999989888742e+17
+    "particle_momentum_x": 1.3380470537895298e-14,
+    "particle_momentum_y": 1.3367685546044215e-14,
+    "particle_momentum_z": 1.3372922616599391e-14,
+    "particle_position_x": 2559.782513518522,
+    "particle_position_y": 2559.8747993471684,
+    "particle_position_z": 2560.2864832238383,
+    "particle_weight": 7.999999989942968e+17
   },
   "helium3": {
-    "particle_momentum_x": 2.2749239620327265e-15,
-    "particle_momentum_y": 2.268697031603961e-15,
-    "particle_momentum_z": 2.278045756364995e-15,
-    "particle_position_x": 61.961041864660686,
-    "particle_position_y": 61.78141653674165,
-    "particle_position_z": 61.741022731492514,
-    "particle_weight": 505562702.7678892
+    "particle_momentum_x": 2.278275200450756e-15,
+    "particle_momentum_y": 2.2738610200497133e-15,
+    "particle_momentum_z": 2.2792408973056887e-15,
+    "particle_position_x": 62.03084683414219,
+    "particle_position_y": 61.95011296352698,
+    "particle_position_z": 62.02404756675538,
+    "particle_weight": 502851860.91505826
   }
-}
+}
diff --git a/Regression/Checksum/benchmarks_json/collisionISO.json b/Regression/Checksum/benchmarks_json/collisionISO.json
@@ -11,12 +11,12 @@
     "jz": 0.0
   },
   "electron": {
-    "particle_momentum_x": 3.579130200773753e-19,
-    "particle_momentum_y": 3.5788119408700804e-19,
-    "particle_momentum_z": 3.584163522201744e-19,
-    "particle_position_x": 1.024188253213835,
-    "particle_position_y": 1.0238795904737117,
-    "particle_position_z": 1.02399735048655,
+    "particle_momentum_x": 3.579989064013309e-19,
+    "particle_momentum_y": 3.5822945977746767e-19,
+    "particle_momentum_z": 3.579753452653627e-19,
+    "particle_position_x": 1.0241322532163375,
+    "particle_position_y": 1.0238995904625479,
+    "particle_position_z": 1.02402135051502,
     "particle_weight": 714240000000.0
   }
 }
diff --git a/Regression/Checksum/benchmarks_json/collisionXYZ.json b/Regression/Checksum/benchmarks_json/collisionXYZ.json
@@ -6,25 +6,25 @@
     "Ex": 0.0,
     "Ey": 0.0,
     "Ez": 0.0,
-    "T_electron": 353384.4616461907,
-    "T_ion": 348277.2774202612
+    "T_electron": 353604.6247926339,
+    "T_ion": 347976.6168136309
   },
   "electron": {
-    "particle_momentum_x": 8.378820415249081e-19,
-    "particle_momentum_y": 8.238482720534644e-19,
-    "particle_momentum_z": 8.189221038447925e-19,
-    "particle_position_x": 21268719.554914076,
-    "particle_position_y": 21282437.437205918,
-    "particle_position_z": 21231947.47401523,
+    "particle_momentum_x": 8.370755929299189e-19,
+    "particle_momentum_y": 8.228112213603589e-19,
+    "particle_momentum_z": 8.204295817378347e-19,
+    "particle_position_x": 21284971.94721422,
+    "particle_position_y": 21212829.42991966,
+    "particle_position_z": 21214774.536558084,
     "particle_weight": 7.168263344048695e+28
   },
   "ion": {
-    "particle_momentum_x": 2.013855005436386e-18,
-    "particle_momentum_y": 1.8231305152698165e-18,
-    "particle_momentum_z": 1.8194149390229157e-18,
-    "particle_position_x": 21217737.157987915,
-    "particle_position_y": 21263096.30516862,
-    "particle_position_z": 21261343.069983635,
+    "particle_momentum_x": 2.0074097598289766e-18,
+    "particle_momentum_y": 1.8203553942782305e-18,
+    "particle_momentum_z": 1.823420185235695e-18,
+    "particle_position_x": 21227192.857240494,
+    "particle_position_y": 21286501.692027714,
+    "particle_position_z": 21245587.6706009,
     "particle_weight": 7.168263344048695e+28
   }
-}
+}
diff --git a/Source/Particles/Collision/BinaryCollision/BinaryCollision.H b/Source/Particles/Collision/BinaryCollision/BinaryCollision.H
@@ -368,14 +368,12 @@ public:
                     // given by the `indices_1[cell_start_1:cell_stop_1]`
                     index_type const cell_start_1 = cell_offsets_1[i_cell];
                     index_type const cell_stop_1  = cell_offsets_1[i_cell+1];
-                    index_type const cell_half_1 = (cell_start_1+cell_stop_1)/2;
 
                     // Do not collide if there is only one particle in the cell
                     if ( cell_stop_1 - cell_start_1 <= 1 ) { return; }
 
                     // shuffle
-                    ShuffleFisherYates(
-                        indices_1, cell_start_1, cell_half_1, engine );
+                    ShuffleFisherYates(indices_1, cell_start_1, cell_stop_1, engine);
                 }
             );