Class NormalMode

Instance Methods

[hide private]

__init__(self, frequency, t_atoms)
Arguments

__eq__(self, other)
Check normal mode properties for equality.

__ne__(self, other)

__str__(self)

__sub__(self, other)
Return the difference between two NormalMode objects.

Class Variables

[hide private]

__doc__ = ...

frequency_precision = 1.0e-1

ir_intensity_precision = 1.0e-1

raman_intensity_precision = 1.0e-1

reduced_mass_precision = 1.0e-1

force_constant_precision = 1.0e-1

dipole_strength_precision = 1.0e-1

rotational_strength_precision = 1.0e-1

Method Details

[hide private]

init(self, frequency, t_atoms)
(Constructor)


Arguments

frequency (float)
    The frequency of the normal mode.

t_atoms (int)
    The number of atoms in the molecule.

sub(self, other)
(Subtraction operator)

Return the difference between two NormalMode objects. This is really only useful for printing the resulting NormalMode object to easily see the difference between them.

Class Variable Details

[hide private]

doc

Value:

"""
    A class for storing normal mode results.

    Attributes

    frequency (float, %s)

    symmetry (str)
...

Class NormalMode

__init__(self, frequency, t_atoms) (Constructor)

__sub__(self, other) (Subtraction operator)

__doc__

init(self, frequency, t_atoms)
(Constructor)

sub(self, other)
(Subtraction operator)

doc