GOMC parsing ============== .. automodule:: alchemlyb.parsing.gomc The parsers featured in this module are constructed to properly parse `GOMC `_ free energy output files, containing the Hamiltonian derivatives (:math:`\frac{dH}{d\lambda}`) for TI-based estimators and Hamiltonian differences (:math:`\Delta H` for all lambda states in the alchemical leg) for FEP-based estimators (BAR/MBAR). API Reference ------------- This submodule includes these parsing functions: .. autofunction:: alchemlyb.parsing.gomc.extract_dHdl .. autofunction:: alchemlyb.parsing.gomc.extract_u_nk .. autofunction:: alchemlyb.parsing.gomc.extract