SOFT-CORE

NAME
SOFT-CORE - Specification of the soft-core parameters for alchemical transformations.
SYNOPSIS
SOFT-CORE    $ \gamma_{\rm el}$    $ \gamma_{\rm LJ}$
DESCRIPTION
$ \gamma_{\rm el}$ and $ \gamma_{\rm LJ}$ are the real number specified in Eq. 9.1.
DEFAULTS
$ \gamma_{\rm el}=\gamma_{\rm LJ}=0.5$
WARNINGS
$ \gamma_{\rm el}=0$ for the vector (KNL) force_alchemy routine.


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procacci 2021-12-29