Methods to perform free energy and free energy derivatives calculations. More...

Functions/Subroutines
subroutine, public	free_energy_evaluate (md_env, converged, fe_section)
	Main driver for free energy calculations In this routine we handle specifically biased MD.

Detailed Description

Methods to perform free energy and free energy derivatives calculations.

Function/Subroutine Documentation

subroutine, public free_energy_methods::free_energy_evaluate	(	type(md_environment_type), pointer	md_env,
		logical, intent(out)	converged,
		type(section_vals_type), pointer	fe_section
	)

Main driver for free energy calculations In this routine we handle specifically biased MD.

Parameters

Definition at line 67 of file free_energy_methods.F.

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