Reference ABCCoord

ABCCoord

ABCCoord(sp, a, b, c)

Dataclass for atomic coordinates for use in ABCMolecule class.

Parameters:

• sp (str) –

  Species of atom.

• a (float) –

  a or x coordinate position of atom.

• b (float) –

  b or y coordinate position of atom.

• c (float) –

  c or z coordinate position of atom.

Returns:

• ABCCoord –

  ABCCoord object containing data from defined arguments.