hoomd.update¶

Overview

`BoxResize`	Resizes the box between an initial and final box.
`CustomUpdater`	Updater wrapper for `hoomd.custom.Action` objects.

Details

class hoomd.update.BoxResize(box1, box2, variant, trigger, filter=hoomd._hoomd.ParticleFilter)¶

Resizes the box between an initial and final box.

When part of a Simulation updater list, this object will resize the box between the initial and final boxes passed. The behavior is a linear interpolation between the initial and final boxes where the minimum of the variant is tagged to box1 and the maximum is tagged to box2. All values between the minimum and maximum result in a box that is the interpolation of the three lengths and tilt factors of the initial and final boxes.

Note

The passed Variant must be bounded (i.e. it must have a true minimum and maximum) or the behavior of the updater is undefined.

Note

Currently for MPI simulations the rescaling of particles does not work properly in HPMC.

Parameters

box1 (hoomd.Box) – The box associated with the minimum of the passed variant.
box2 (hoomd.Box) – The box associated with the maximum of the passed variant.
variant (hoomd.variant.Variant) – A variant used to interpolate between the two boxes.
trigger (hoomd.trigger.Trigger) – The trigger to activate this updater.
filter (hoomd.filter.ParticleFilter) – The subset of particle positions to update.

box1¶

The box associated with the minimum of the passed variant.

Type: hoomd.Box

box2¶

The box associated with the maximum of the passed variant.

Type: hoomd.Box

variant¶

A variant used to interpolate between the two boxes.

Type: hoomd.variant.Variant

trigger¶

The trigger to activate this updater.

Type: hoomd.trigger.Trigger

filter¶

The subset of particles to update.

Type: hoomd.filter.ParticleFilter

get_box(timestep)¶

Get the box for a given timestep.

Parameters: timestep (int) – The timestep to use for determining the resized box.
Returns: The box used at the given timestep.
Return type: Box

static update(state, box, filter=hoomd._hoomd.ParticleFilter)¶

Immediately scale the particle in the system state to the given box.

Parameters

state (State) – System state to scale.
box (Box) – New box.
filter (hoomd.filter.ParticleFilter) – The subset of particles to update.

class hoomd.update.CustomUpdater(action, trigger=1)¶

Updater wrapper for hoomd.custom.Action objects.

For usage see hoomd.custom.CustomOperation.