CHANGELOG 2.08 KB
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version 1.0.4.rc4
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* bug fix in coordination number analysis: some pairs were never taken into account
* bug fix when transmutating atoms from an atom selection different to 'all'

version 1.0.4.rc3
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* 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

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version 1.0.4.rc2
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* added support for gitflow bugfix branch to gitlab config file
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* the DL_POLY converter is now compliant with DL_POLY 4
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* added the mass tolerance to LAMMP converter
* updated the LAMMP example trajectory with more accurate masses

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version 1.0.4.rc1
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* 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

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version 1.0.3.e:
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* bug fix relative to REGISTRY update

version 1.0.3.d:
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* 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
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* 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

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version 1.0.3.c:
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* 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:
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* updated `MDANSE/__pkginfo__.py` module
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