ImageDependentPairPotential

class ImageDependentPairPotential(spring_constant=None, constraints=None)

Use the Image Dependent Pair Potential method for interpolating images.

Parameters:
  • spring_constant (PhysicalQuantity of type force per length) – The spring constant used between the images.
    Default: 5.0*eV/Ang**2
  • constraints (list of ints) – List of atom indices that are kept fixed during interpolation.
    Default: []
constraints()
Returns:The constrained atoms.
Return type:list of type int
springConstant()
Returns:The spring constant used between the images.
Return type:PhysicalQuantity of type force per length