From 142bc40594d0139f0eaa0f0f41657003343b6532 Mon Sep 17 00:00:00 2001 From: Glen Hocky <glen842@midway> Date: Thu, 15 Mar 2018 16:30:35 -0500 Subject: [PATCH] added EDS changes to v2.5 changes doc --- CHANGES/v2.5.md | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/CHANGES/v2.5.md b/CHANGES/v2.5.md index f55471a48..3d7c4e094 100644 --- a/CHANGES/v2.5.md +++ b/CHANGES/v2.5.md @@ -19,6 +19,11 @@ Changes from version 2.4 which are relevant for users: - \ref drr_tool can calculate the divergence of gradients now. (Maybe useful for future pABF) - Fix conflicts of output files in multiple replicas. +- Changes in the EDS module: + - \ref EDS implements Levenberg-Marquardt optimization in addition to previous gradient descent. + - \ref EDS no longer automatically increases prefactor for bias parameter updates. This results in more stable optimization for the cases tested. + - \ref EDS now has a larger default RANGE parameter to go with these other changes. + - Other changes: - \ref EXTERNAL can now SCALE the input grid. This allows for more flexibility without modifying the grid file. - \ref ALPHABETA can now combine dihedrals with different coefficients -- GitLab