5.22. units

Collection of constants and unit conversion functions.

For more about atomic units, see: https://en.wikipedia.org/wiki/Hartree_atomic_units All values are directly calculated from the CODATA 2018 constants as found in SciPy.

Functions

ang2bohr	Convert Angstrom to Bohr.
bohr2ang	Convert Bohr to Angstrom.
d2ebohr	Convert Debye to e * Bohr.
deg2rad	Convert Degree to Radians.
ebohr2d	Convert e * Bohr to Debye.
ev2ha	Convert electronvolt to Hartree.
ha2ev	Convert Hartree to electronvolt.
ha2kcalmol	Convert Hartree to kcal/mol.
ha2kelvin	Convert Hartree to Kelvin.
ha2ry	Convert Hartree to Rydberg.
kcalmol2ha	Convert kcal/mol to Hartree.
kelvin2ha	Convert Kelvin to Hartree.
rad2deg	Convert Radians to Degree.
ry2ha	Convert Rydberg to Hartree.