WallGo.containers.FreeEnergyArrays

class FreeEnergyArrays(temperatures, minimumList, potentialEffList, allowedDiscrepancy=None)[source]

Bases: object

Object containing temperatures, positions of the minimum and value of the effective potential.

Initialisation of FreeEnergyArrays, based on passing 3 arrays and a float.

Parameters:

  • temperatures (ndarray[float])

  • minimumList (ndarray[float])

  • potentialEffList (ndarray[float])

  • allowedDiscrepancy (float | None)

__init__(temperatures, minimumList, potentialEffList, allowedDiscrepancy=None)[source]

Initialisation of FreeEnergyArrays, based on passing 3 arrays and a float.

Parameters:

  • temperatures (ndarray[float])

  • minimumList (ndarray[float])

  • potentialEffList (ndarray[float])

  • allowedDiscrepancy (float | None)

Return type:

None

Methods

__init__(temperatures, minimumList, ...[, ...])

Initialisation of FreeEnergyArrays, based on passing 3 arrays and a float.

Attributes

temperatures

Array of temperatures.

freeEnergyList

Array of field(s) and potential value at the minimum.

allowedDiscrepancy

Allowed discrepancy between the effective potential at the minimum and the user-provided value
allowedDiscrepancy: float | None

Allowed discrepancy between the effective potential at the minimum and the user-provided value

freeEnergyList: ndarray[FreeEnergyValueType]

Array of field(s) and potential value at the minimum.

temperatures: ndarray[float]

Array of temperatures.