diff --git a/README.md b/README.md index 8949ad6..599bd45 100644 --- a/README.md +++ b/README.md @@ -24,7 +24,9 @@ mod = AtomisticReverseMonteCarlo( [1, 1, 1], [1, 1, 1], ], - save_rate=100000, # Save rate + save_rate=1000, # save rate + seed=123, + max_iter=None, # infinity number of iterations ) # Load the intial snapshot diff --git a/examples/main.py b/examples/main.py index 345bedb..64c2b88 100644 --- a/examples/main.py +++ b/examples/main.py @@ -15,7 +15,9 @@ [1, 1, 1], [1, 1, 1], ], # max percent tolerence allowed before stopping - save_rate=100000, + save_rate=1000, + seed=123, + max_iter=None, # infinity number of iter ) pipeline = import_file("fcc_random.dump")