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fix
MNWE:
from espressomd import System import numpy as np system = System(box_l=3 * [1.]) system.time_step = 0.01 system.cell_system.skin = 1 part = system.part.add(pos=3 * [0.], rotation=3 * [True], ext_torque=[0, 0, 1]) system.thermostat.set_brownian(kT=0., gamma=1., gamma_rotation=1., seed=41) system.integrator.set_brownian_dynamics() system.integrator.run(10) np.testing.assert_allclose(part.omega_lab, [0, 0, 1], atol=1e-14) part.fix = 3 * [True] system.integrator.run(10) np.testing.assert_allclose(part.omega_lab, [0, 0, 1], atol=1e-14)
Langevin/VV integrator works as expected
The text was updated successfully, but these errors were encountered:
found the error, PR coming soon
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caae3ca
Brownian dynamics: propagate spatially fixed yet freely rotatable par…
06cee16
…ticles (espressomd#4548) Fixes espressomd#4547 Probably a copy paste error in the original code
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MNWE:
Langevin/VV integrator works as expected
The text was updated successfully, but these errors were encountered: