1 files changed, 46 insertions, 0 deletions
diff --git a/benchmark.py b/benchmark.py
new file mode 100644
index 0000000..26bde57
--- /dev/null
+++ b/benchmark.py
@@ -0,0 +1,46 @@
+import sys
+import numpy as np
+from timeit import default_timer as timer
+
+from interacticle import MoleculeCollection, LennardJones, Coulomb, Simulation
+
+from library import Argon
+
+setup = MoleculeCollection()
+
+setup.potential(LennardJones(39.948, 0.3395, 0.971))
+
+for x in range(10):
+    for y in range(10):
+        for z in range(10):
+            setup.add(Argon, (0.2+0.5*x,0.2+0.5*y,0.2+0.5*z))
+
+setup.domain_size = 5
+setup.tau = 0.0005
+setup.cutoff = 0.3395*2.5
+setup.target_temperature = 300
+
+setup.max_lennard_jones = 2000
+setup.max_coulomb = 2000
+
+setup.statistics_step = 100
+setup.neighborhood_step = int(sys.argv[1]) if len(sys.argv) == 2 else 100
+
+simulation = Simulation(setup, opengl = False)
+simulation.setup()
+simulation.verbose = True
+
+neighborhood_sizes = [ ]
+
+start = timer()
+
+for i in range(10000):
+    simulation.evolve()
+    if i % setup.statistics_step == 0:
+        neighborhood_sizes.append(simulation.get_neighborhood_characteristics()[1])
+
+duration = timer() - start
+
+updates_per_second = 10000 / duration
+
+print(f"{setup.neighborhood_step}, {updates_per_second:.2f}, {np.max(neighborhood_sizes):.2f}")