CHANGELOG 1.89 KB
Newer Older
1 2 3 4 5
version 1.0.4.rc2
----------------
* bug fix in debian packager: add the python-setuptools dependency
* improved LAMMPS converter: the parsing of the config file is more tolerance in term of required keyword format

eric pellegrini's avatar
eric pellegrini committed
6
version 1.0.4.rc2
7
----------------
eric pellegrini's avatar
eric pellegrini committed
8
* added support for gitflow bugfix branch to gitlab config file
eric pellegrini's avatar
eric pellegrini committed
9
* the DL_POLY converter is now compliant with DL_POLY 4
10 11 12
* added the mass tolerance to LAMMP converter
* updated the LAMMP example trajectory with more accurate masses

13 14 15 16 17 18 19
version 1.0.4.rc1
----------------
* bug fix in IWidget: the label of the configurator was not taken into account
* bug fix path_to_module function: the list of directories has to be parsed backwards
* raise an error when none or more than atom matches the mass stored in the LAMMPS config file
* modified the label for r value

20 21 22 23 24
version 1.0.3.e:
----------------
* bug fix relative to REGISTRY update

version 1.0.3.d:
eric pellegrini's avatar
eric pellegrini committed
25
----------------
eric pellegrini's avatar
eric pellegrini committed
26 27 28 29 30 31 32 33 34
* redirected the sys.stdout and sys.stderr to the LOGGER
* implemented a write method so as ConsoleHandler behaves as a file-like object
* the job short name appears now explicitely in the saved job files
* small refactoring of MDANSE __init__
* small refactoring of ClassRegistry
* removed the explicit imports of the framework classes
* the plotter show the last loaded data now
* bug fix in rmsd job: the PBC were not applied to the calculation
* bug fix in AtomSelectionConfigurator::get_indexes
eric pellegrini's avatar
eric pellegrini committed
35 36 37 38 39 40 41
* bug fix when saving user definitions
* bug fix with the initial size of the user definitions plugins
* updated the job template writing
* small refactoring of the save job template command line option
* removed unused imports
* removed white spaces

42
version 1.0.3.c:
eric pellegrini's avatar
eric pellegrini committed
43 44 45 46 47 48 49
----------------
* bug fix with JobControllerPanel in case of crashing jobs
* regression fixed due to trials to get rid of relative imports MDANSE/Externals/pubsub package

version 1.0.3.a:
----------------
* updated `MDANSE/__pkginfo__.py` module
50