From 51fbae0d844d3021b70ba8b8d9b06c93c289bd53 Mon Sep 17 00:00:00 2001 From: Giovanni Bussi Date: Wed, 8 Mar 2023 10:32:07 +0100 Subject: [PATCH] changelog --- CHANGES/v2.9.md | 3 +++ 1 file changed, 3 insertions(+) diff --git a/CHANGES/v2.9.md b/CHANGES/v2.9.md index c312c1532d..1b920178eb 100644 --- a/CHANGES/v2.9.md +++ b/CHANGES/v2.9.md @@ -22,6 +22,7 @@ This page contains changes that will end up in 2.9 - SimpleMD has been parallelized with OpenMP. Keyword `maxneighbor` has been removed (not needed anymore). In addition, SimpleMD now supports custom values for `epsilon` and `sigma` - \ref CENTER and \ref COM have new options `SET_CHARGE` and `SET_MASS` to assign them ad hoc charge and mass values + - A tool to compute time-averaged bias potentials has been added in the python module (see `help(plumed.hills_time_average)`). - New in LogMFD module: - `TEMPPD` keyword has been newly introduced, which allows for manually setting the temperature of the Boltzmann factor in the Jarzynski weight in LogPD. @@ -44,4 +45,6 @@ This page contains changes that will end up in 2.9 - Added thread-safe reference counter to wrapper. - Added locks for thread-unsafe molfile plugins. - Plumed patch now accepts the `--include` option. Might become the default in a future version. + - Python (cython) wrappers now only use plain C instead of C++. Plumed exceptions are mapped to python exceptions. + - Step number is now stored as a `long long int`. Might facilitate Windows compatibility.