diff --git a/CHANGES/v2.4.txt b/CHANGES/v2.4.txt index 9c6847f5190b6ad370f20888dcee9194b79f22bd..86070c714599e6eb20c58a92c9ac525a16726cb1 100644 --- a/CHANGES/v2.4.txt +++ b/CHANGES/v2.4.txt @@ -11,6 +11,8 @@ should have a look at the section "Changes leading to incompatible behavior" bel might need tiny adjustments in their input files. Notice that version 2.4 includes already all the fixes in branch 2.3 up to 2.3.2 indicated in \ref CHANGES-2-3 . +\warning This is an alpha release! + \warning Notice that this list is not complete yet Changes from version 2.3 which are relevant for users: @@ -37,6 +39,21 @@ Changes from version 2.3 which are relevant for users: - \ref ADAPTIVE_PATH : Adaptive path variables using the method from \cite BerndAdaptivePath - New actions: - \ref INENVELOPE + - \ref TOPOLOGY_MATRIX + - \ref BOND_DIRECTIONS + - \ref DUMPGRAPH + - \ref GRID_TO_XYZ + - \ref INTEGRATE_GRID + - \ref LWALLS + - \ref MAXENT + - \ref MCOLV_COMBINE + - \ref MCOLV_PRODUCT + - \ref POLYMER_ANGLES + - \ref XANGLES , \ref YANGLES , \ref ZANGLES + - \ref XYTORSIONS , \ref XZTORSIONS , \ref YXTORSIONS , \ref YZTORSIONS , \ref ZXTORSIONS , and \ref ZYTORSIONS +- New command line tools: + - \ref pesmd : Tool for performing Langevin dynamics on an energy landscape that is specified using a PLUMED input file + - \ref pathtools - Other changes: - \ref COMMITTOR : new flag to use committor to keep track of the visited basins without stopping the simulation - \ref PBMETAD : multiple walkers using files (thanks to Marco De La Pierre). @@ -52,7 +69,6 @@ Changes from version 2.3 which are relevant for users: - Internal molfile implementation has been updated to VMD 1.9.3. - Examples in the documentation now have syntax highlighting and links to the documentation of used actions. - \ref COORDINATIONNUMBER : Added option to have pairwise distance moments of coordination number in the multicolvar module - - \ref pesmd : Tool for performing Langevin dynamics on an energy landscape that is specified using a PLUMED input file Changes from version 2.3 which are relevant for developers: - A few fixes has been made to improve exception safety. Although we still cannot declare @@ -63,7 +79,7 @@ Changes from version 2.3 which are relevant for developers: - `gettimeofdate` and `gettime` have been replaced with portable `chrono` classes introduced in c++11. - C++ exceptions are enabled by default. - Stack trace is not written upon error anymore, unless environment variable `PLUMED_STACK_TRACE` is set at runtime. - - Fixed a potential bug using single precision internal blas on a mac (notice that currently plumed only uses + - Fixed a potential bug using single precision system blas on a mac (notice that currently plumed only uses double precision, so it is harmless). - Added `--enable-rpath` option for autoconf (off by default). */