units - convert to real unitsΒΆ

Espresso++ returns temperature, energy, pressure, box length etc. in dimensionless units. Usually user should take care about real length, energy, mass and charge units. This python class is a helper in order to simplify the conversion which is based on basic units. However, user always should use it carefully for complicated systems.

Currently it is implemented for SI units. Make sure that you are using length in [nm] energy in [kJ/mol] mass in [amu] q in [e]

and it will return you pressure in [bar] temperature in [K] time in [ps] density in [kg/m^3]