This document aims to track all the notable changes to the FFEA project.
The format is based on Keep a Changelog and this project adheres to Semantic Versioning.
calc_vdw
has been changed to calc_ssint
, the new name reflecting that they are surface-surface interactions.calc_steric
was introduced, to make possible the combination of surface-surface interactions with steric interactions, without constantly extending the entries for keyword ssint_type
.vdw
instead of ssint
in keywords is deprecated. This way, calc_vdw
should be calc_ssint
, vdw_type
should be ssint_type
, vdw_in_fname
should be ssint_in_fname
, et cetera.