Documentation for module free_energy_methods

Methods to perform free energy and free energy derivatives calculations

source: free_energy_methods.F
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public Subroutines/Functions:

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

SUBROUTINEfree_energy_evaluate(md_env, converged, fe_section)

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

Arguments:
POINTER
:: md_env ...
LOGICAL,
INTENT(out)
:: converged ...
POINTER
:: fe_section ...