VampireConfigurationParameters

class VampireConfigurationParameters(configuration_type=None, periodic_boundary_conditions=None, system_size=None, particle_size=None, particle_shape_factor=None)

Parameters:

• configuration_type ('full' | 'cylinder' | 'cube' | 'sphere') – The type of configuration.
  Default: ‘full’

• periodic_boundary_conditions (list) – Tuple of bool indicating if periodic boundary conditions should be used in the x,y,z directions.
  Default: [False, False, False]

• system_size (PhysicalQuantity of type length) – List of system size in x,y,z directions.
  Default: [10,10,10]*nm

• particle_size (PhysicalQuantity of type length) – Used as radius of cylinder and sphere, and size of cube.
  Default: 10*nm

• particle_shape_factor (list) – List of floats. Modifies the default particle shape to create elongated particles.
  Default: [1,1,1]

configurationType()

Returns:

The configuration type

Return type:

str

particleShapeFactor()

Returns:

List of floats between 0.001 and 1.0.

Return type:

list

particleSize()

Returns:

Particle size

Return type:

PhysicalQuantity of type length.

periodicBoundaryConditions()

Returns:

List of bool indicating if periodic boundary conditions are used in x, y, z directions.

Return type:

list

systemSize()

Returns:

List of system size in x,y,z directions.

Return type:

PhysicalQuantity of type length.

writeToFile(fd)

Write the configuration information to the file object.

Parameters:

fd (File object.) – File object to write to.