mode_standard Class Reference

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Detailed Description

Enables a variety of standard integration methods.

integrate.mode_standard performs a standard time step integration technique to move the system forward. At each time step, all of the specified forces are evaluated and used in moving the system forward to the next step.

By itself, integrate.mode_standard does nothing. You must specify one or more integration methods to apply to the system. Each integration method can be applied to only a specific group of particles enabling advanced simulation techniques.

The following commands can be used to specify the integration methods used by integrate.mode_standard.

• integrate.bdnvt
• integrate.bdnvt_rigid
• integrate.nve
• integrate.nve_rigid
• integrate.nvt
• integrate.nvt_rigid
• integrate.npt
• integrate.nph

There can only be one integration mode active at a time. If there are more than one integrate.mode_* commands in a hoomd script, only the most recent before a given run() will take effect.

Examples:

create_random_polymers, init_create_empty, init_reset, and init_xml.

Public Member Functions
def	__init__
	Specifies the standard integration mode.
def	set_params
	Changes parameters of an existing integration mode.

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Constructor & Destructor Documentation

def __init__	(		self,
			dt
	)

Specifies the standard integration mode.

Parameters:

dt	Each time step of the simulation run() will advance the real time of the system forward by dt (in time units)

Examples:

 integrate.mode_standard(dt=0.005)
 integrator_mode = integrate.mode_standard(dt=0.001)

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Member Function Documentation

def set_params	(		self,
			dt = None
	)

Changes parameters of an existing integration mode.

Parameters:

dt	New time step delta (if set) (in time units)

To change the parameters of an existing integration mode, you must save it in a variable when it is specified, like so:

 integrator_mode = integrate.mode_standard(dt=5e-3)

Examples:

 integrator_mode.set_params(dt=0.007)