force_diff,
)
test_sizes = [
(1, 1, 1),
(1, 1, 2),
(1, 2, 2),
(2, 2, 2),
(2, 2, 3),
(2, 3, 3),
(3, 3, 3),
(3, 3, 4),
(3, 4, 4),
(4, 4, 4),
]
num_atoms = np.zeros(len(test_sizes))
times = np.zeros(len(test_sizes))
for i, size in enumerate(test_sizes):
n = 8
for dim in size:
n *= dim
num_atoms[i] = n
calc = Amp.load("calcs/force-trained.amp")
test_atoms = trjbd.build_atoms(system, size, temp, calc, seed=0)
start = time.time()
test_atoms.get_forces()
end = time.time()
times[i] = end - start
plter.plot_scaling(system + "_" + "scaling.png", num_atoms, times)
