diff --git a/jax_md/simulate.py b/jax_md/simulate.py index f459d7c4..85926bf3 100644 --- a/jax_md/simulate.py +++ b/jax_md/simulate.py @@ -682,10 +682,8 @@ def U(eps): dUdV = grad(U) KE2 = util.high_precision_sum(velocity ** 2 * mass) - R = space.transform(box_fn(vol), position) - RdotF = util.high_precision_sum(R * force) - return alpha * KE2 + RdotF - dUdV(0.0) - pressure * vol * dim + return alpha * KE2 - dUdV(0.0) - pressure * vol * dim def sinhx_x(x): """Taylor series for sinh(x) / x as x -> 0.""" diff --git a/setup.py b/setup.py index e5f4ad13..bad26269 100644 --- a/setup.py +++ b/setup.py @@ -33,7 +33,7 @@ setuptools.setup( name='jax-md', - version='0.1.27', + version='0.1.28', license='Apache 2.0', author='Google', author_email='jax-md-dev@google.com',