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Try #6 #13

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May 22, 2024
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Try #6 #13

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13 changes: 7 additions & 6 deletions tests/rigid_body_test.py
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Original file line number Diff line number Diff line change
Expand Up @@ -30,6 +30,7 @@


from jax import config as jax_config
jax_config.update('jax_disable_jit', True)

import jax.numpy as jnp

Expand Down Expand Up @@ -240,9 +241,9 @@ def test_nve_2d_neighbor_list(self, dtype):
shape)
init_fn, step_fn = simulate.nve(energy_fn, shift)

# step_fn = jit(step_fn)
step_fn = jit(step_fn)

# @jit
@jit
def total_energy(state, nbrs):
pos = state.position
return (energy_fn(pos, neighbor=nbrs) +
Expand All @@ -252,7 +253,7 @@ def total_energy(state, nbrs):
state = init_fn(key, body, 1e-3, mass=shape.mass(), neighbor=nbrs)
E_initial = total_energy(state, nbrs)

# @jit
@jit
def step(i, state_nbrs):
state, nbrs = state_nbrs
nbrs = nbrs.update(state.position)
Expand Down Expand Up @@ -294,9 +295,9 @@ def test_nve_2d_neighbor_list_multi_atom_species(self, dtype):
shape)
init_fn, step_fn = simulate.nve(energy_fn, shift)

# step_fn = jit(step_fn)
step_fn = jit(step_fn)

# @jit
@jit
def total_energy(state, nbrs):
pos = state.position
return (energy_fn(pos, neighbor=nbrs) +
Expand All @@ -306,7 +307,7 @@ def total_energy(state, nbrs):
state = init_fn(key, body, 1e-3, mass=shape.mass(), neighbor=nbrs)
E_initial = total_energy(state, nbrs)

# @jit
@jit
def step(i, state_nbrs):
state, nbrs = state_nbrs
nbrs = nbrs.update(state.position)
Expand Down
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