diff --git a/examples/md.py b/examples/md.py index d06d664b4de5bea7772c3e289468a73c54dd0c78..32bc1da44d44e6f1e3027979090ce511aa052f02 100644 --- a/examples/md.py +++ b/examples/md.py @@ -48,8 +48,8 @@ psim.add_property('mass', pairs.real(), 1.0) psim.add_property('linear_velocity', pairs.vector()) psim.add_property('force', pairs.vector(), volatile=True) psim.add_feature('type', ntypes) -psim.add_feature_property('type', 'epsilon', pairs.real(), [sigma for i in range(ntypes * ntypes)]) -psim.add_feature_property('type', 'sigma6', pairs.real(), [epsilon for i in range(ntypes * ntypes)]) +psim.add_feature_property('type', 'epsilon', pairs.real(), [epsilon for i in range(ntypes * ntypes)]) +psim.add_feature_property('type', 'sigma6', pairs.real(), [sigma6 for i in range(ntypes * ntypes)]) psim.copper_fcc_lattice(nx, ny, nz, rho, temp, ntypes) #psim.set_domain_partitioner(pairs.block_forest())