You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
The ConstantVelocity integration method would integrate particle positions forward in time at a constant velocity, ignoring all forces applied to the particles. It would also integrate orientations forward at constant angular velocity.
Proposed solution
The solution would make use of ConstantVolume at the C++ level, with a flag to always zero the acceleration and torque. At the Python level, we would expose it as ConstantVelocity(filter). Users would set the velocities of the particles in the simulation state.
Additional context
HOOMD v2 had this in the zero_force option to NVE. It is useful to create flows of particles (i.e moving walls). It can also be used in 2 particle systems to measure pair potentials in one call to run.
This should be implemented on trunk-major to avoid merge conflicts with the refactored integrators.
The text was updated successfully, but these errors were encountered:
Description
The
ConstantVelocity
integration method would integrate particle positions forward in time at a constant velocity, ignoring all forces applied to the particles. It would also integrate orientations forward at constant angular velocity.Proposed solution
The solution would make use of
ConstantVolume
at the C++ level, with a flag to always zero the acceleration and torque. At the Python level, we would expose it asConstantVelocity(filter)
. Users would set the velocities of the particles in the simulation state.Additional context
HOOMD v2 had this in the
zero_force
option toNVE
. It is useful to create flows of particles (i.e moving walls). It can also be used in 2 particle systems to measure pair potentials in one call torun
.This should be implemented on
trunk-major
to avoid merge conflicts with the refactored integrators.The text was updated successfully, but these errors were encountered: