Monte Carlo Vertex Move

Definition

Name	Mesh>MonteCarlo>vertex>move
Type	Monte Carlo
Defined in	Vertices

Monte Carlo vertex move integrator attempts to move \(N_v\) system vertices at each runtime.

Python calling

add .. code-block:: python

evolver.add_integrator(“Mesh>MonteCarlo>vertex>move”, {“dr”: “0.05”})

evolveMC(MCS) .. code-block:: python

evolver.evolveMC(1000)

set .. code-block:: python

evolver.set(“Mesh>MonteCarlo>vertex>move”, {“dr”: “0.01”})

delete .. code-block:: python

evolver.delete_integrator(“Mesh>MonteCarlo>vertex>move”)

Property

dx, dy, dz Distance used in each vertex move attempt.

type: double default: dx = dy = dz = 0.02

dr Set distance dx = dy = dz = dr

type: double

seed Seed used to generate the random number.

type: int default: 123456

every step Perform the Monte Carlo movement every n steps.

type: int

spherical_move Constrain the vertex movement on a sphere.

type: bool default: false

T Temperature used in simulation.

type: double default: 0.0