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mode_standard Class Reference

Enables a variety of standard integration methods. More...

Public Member Functions

def __init__
 Specifies the standard integration mode. More...
 
def set_params
 Changes parameters of an existing integration mode. More...
 

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.

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.

MPI Support
This command works in MPI parallel jobs.
Examples:
create_random_polymers, init_create_empty, init_reset, and init_xml.

Constructor & Destructor Documentation

def __init__ (   self,
  dt 
)

Specifies the standard integration mode.

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

Examples:

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

Member Function Documentation

def set_params (   self,
  dt = None 
)

Changes parameters of an existing integration mode.

Parameters
dtNew 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:

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

Examples:

1 integrator_mode.set_params(dt=0.007)