Data: Masses#
This module contains masses.
- tad_mctc.data.mass.ATOMIC_MASS(device=None, dtype=torch.float64)[source]#
Isotope-averaged atom masses in atomic units (in g/mol) from https://www.angelo.edu/faculty/kboudrea/periodic/structure_mass.htm.
- Parameters:
dtype (torch.dtype, optional) – Floating point precision for tensor. Defaults to torch.double.
device (Optional[torch.device], optional) – Device of tensor. Defaults to None.
- Returns:
Atomic masses in atomic units.
- Return type:
Tensor