From 402e06438d05d05c0e92939ffb5a6a0770ae2e82 Mon Sep 17 00:00:00 2001 From: Giovanni Bussi <giovanni.bussi@gmail.com> Date: Sun, 16 Sep 2018 18:28:55 +0200 Subject: [PATCH] changelog --- CHANGES/v2.5.md | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/CHANGES/v2.5.md b/CHANGES/v2.5.md index ca6a6c4dd..b2e4013e2 100644 --- a/CHANGES/v2.5.md +++ b/CHANGES/v2.5.md @@ -62,10 +62,11 @@ Changes from version 2.4 which are relevant for users: - \ref CS2BACKBONE (isdb module) is now mpi parallelised in particular with DOSCORE and CAMSHIFT - \ref SAXS (isdb module) there is an additional implementation based on bessel functions that can be faster for large systems (new keyword BESSEL) - Libmatheval is not used anymore. \ref MATHEVAL (and \ref CUSTOM) are still available - but employ an internal implementation of the lepton library. There should be no observable difference - except from the fact that lepton does not support some of the inverse and hyperbolic functions supported - by matheval (easily writable as a function of the available ones). Notice that \ref MATHEVAL (and \ref CUSTOM) - switching functions using the lepton library have been further optimized with respect to PLUMED 2.4. + but employ an internal implementation of the lepton library. + Functions available in libmatheval and absent in the original lepton library have been added so as to have backward compatbility. + `atan2(y,x)` function has also been added. + Notice that MATHEVAL (and CUSTOM) \ref switchingfunction "switching functions" + using the lepton library have been further optimized with respect to PLUMED 2.4. Finally, notice that it is possible to use asmjit to optimize performance (see \ref Lepton). - Implemented bash autocompletion, see \ref BashAutocompletion. - \ref MOLINFO now allows selecting atoms from chains with a numeric ID (see \issue{320}). -- GitLab