diff --git a/CHANGES/Unreleased.txt b/CHANGES/Unreleased.txt index 83eb9e6fe2961e294def2a64d8df1b7d79543db0..4cc155a9f0780055785b1e6132cf731ff9329064 100644 --- a/CHANGES/Unreleased.txt +++ b/CHANGES/Unreleased.txt @@ -9,7 +9,8 @@ Changes from version 2.0 which are relevant for users: - Added ACCELERATION to \ref METAD, allowing to calculate on the fly the Metadynamics acceleration factor. - Added option PRECISION to set number of digits in \ref DUMPATOMS. - Added NDX_FILE and NDX_GROUP to action \ref GROUP, allowing to import atom lists from ndx files. -- Several optimizations in the following actions: \ref WHOLEMOLECULES, ... +- Small optimization in \ref WHOLEMOLECULES +- Small optimization in \ref COORDINATION when NN and MM are even and D_0=0 - Faster atom scattering with domain decomposition. - \ref SPRINT topological collective variables. - \ref CH3SHIFTS collective variable. @@ -31,5 +32,7 @@ Changes from version 2.0 which are relevant for developers: original code so as to simplify their modification. - Fixed dependencies among actions such that it is now possible (and reliable) to use MPI calls inside Action::prepare() +- colvar/CoordinationBase.cpp has been changed to make it faster. If you devised a class which inherits from here, + consider that CoordinationBase::pairing now needs _squared_ distance instead of distance */