diff --git a/CHANGES/v2.2.txt b/CHANGES/v2.2.txt index 5543cf015edaa947f39c2e899c9ab5545c1ecc6a..b632a99a8905724dbb70ff3049a976303dcb66cc 100644 --- a/CHANGES/v2.2.txt +++ b/CHANGES/v2.2.txt @@ -5,7 +5,14 @@ Version 2.2 (Oct 13, 2015) ---------------------------- -Include all fixes in branch 2.1 indicated in \ref CHANGES-2-1 . +Version 2.2 contains several improvements with respect to 2.1. Users currently working with 2.1 +should have a look at the section "Changes leading to incompatible behavior" below and +might need tiny adjustments in their input files. In 2.2 we restored more features of 1.3 +that were missing in 2.1, so users still working with 1.3 could opt for an upgrade. +A tutorial explaining how to move from PLUMED 1 to PLUMED 2 is available (see \ref moving). + +Below you find a list of all the changes with respect to version 2.1. +Notice that version 2.2 includes already all the fixes in branch 2.1 up to 2.1.4 indicated in \ref CHANGES-2-1 . Changes from version 2.1 which are relevant for users: - Changes leading to incompatible behavior: @@ -105,7 +112,7 @@ For developers: - ./configure is automatically relaunched when changing ./configure or Makefile.conf. This makes it more robust to switch between branches. -Unreleased changes (will be included in 2.2.2) +Version 2.2.2 (Apr 13, 2016) ---------------------------------------------- For users: @@ -119,7 +126,8 @@ For users: - Fixed a bug in the normalization of kernel functions (relevant for \ref HISTOGRAM). - Fixed a regression introduced in v2.2 that was making \ref METAD with non-MPI multiple walkers crash if reading frequently. See \issue{190} -- Updated patch for gromacs 5.1 +- Updated patch for gromacs 5.x. Patches for gromacs 5.0 and 5.1 have been fixed so as to allow + patching in runtime mode. - Possibility to control manual generation (including pdf) from ./configure. Pdf manual is now off by default. Notice that on travis CI it is still generated. diff --git a/src/bias/External.cpp b/src/bias/External.cpp index 0a8193466426b2588940e6d34a6e52cdde3b73a2..b01c47fc642d7aeadcdfdd6f07dd19fa1c5e6a28 100644 --- a/src/bias/External.cpp +++ b/src/bias/External.cpp @@ -41,7 +41,7 @@ The following is an input for a calculation with an external potential that is defined in the file bias.dat and that acts on the distance between atoms 3 and 5. \verbatim DISTANCE ATOMS=3,5 LABEL=d1 -EXTERNAL ARG=d1 FILENAME=bias.dat LABEL=external +EXTERNAL ARG=d1 FILE=bias.dat LABEL=external \endverbatim (See also \ref DISTANCE \ref PRINT). @@ -64,7 +64,7 @@ potential acting on two torsional angles: \verbatim TORSION ATOMS=4,5,6,7 LABEL=t1 TORSION ATOMS=6,7,8,9 LABEL=t2 -EXTERNAL ARG=t1,t2 FILENAME=bias.dat LABEL=ext +EXTERNAL ARG=t1,t2 FILE=bias.dat LABEL=ext \endverbatim The header in the file bias.dat for this calculation would read: