fix ti/spring

Hi everybody,

how to calculate gibbs free energy in lammps program?

can i use fix ti/spring command in order to?

what are outputs of this command in thermo_style?

There is not one way to compute free energies.

See these pages to get started:


compute ti command

USER-FEP package and its fix adapt/fep command


The following package is also available in LAMMPS out of the box:

​If you don’t mind using something else you can try

They have a Gibbs free energy calculation option.

yes, I just added all these links to the glossary page for

a “free energy” entry.