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* ADDED issue 93 HDF5 format can now be used as output format of analyses as well as input for plotters
* ADDED issue 75 Added a new Units Editor window for handling unit definitions and expanded the range of unit conversions in plotters. The internal unit handling has been also rewritten
* ADDED issue 71 Trajectory files generated by MDANSE now contain units
* ADDED (internal) issue 68 The data used by plotters is now abstracted, allowing for easier implementation of different data format inputs
* ADDED issue 62 A new MDANSE script, mdanse_job, has been added which can be used to directly open the GUI window for a job
* ADDED issue 58 2 new plotters for visualising trajectory variables (configuration, velocities, and gradients) have been added
* ADDED issue 49 The new MDANSE User Guide is now accessible from the Help menu
* ADDED issue 45 Data Info now also lists the variables present in the trajectory
* ADDED issue 43 Gromacs converter can now be used to also convert TRR files. This creates a trajectory with velocities and gradients if present
* ADDED issue 26 Added velocity interpolation to Current Correlation Function
* ADDED issue 25 The Pair Distribution Function analysis now also calculates Radial Distribution Function and Total Correlation Function
* FIXED issue 100 The Atoms List Selection now displays the correct number in the 'Number of atoms' field and prevents its change when opened from an analysis
* FIXED issue 98 Centre of masses option in the Eccentricity analysis now works correctly
* FIXED issue 95 MaterialsStudio converters (such as Forcite, Discover, DFTB) now create atom clusters correctly
* FIXED issue 69 Fixed the variables generated by the Rigid Body Trajectory job
* FIXED issue 48 The 'Toggle toolbar' button now works correctly on Windows
* FIXED issue 46 Trajectory files generated by MDANSE no longer include temperature and kinetic energy variables
* FIXED issue 31 Gromacs converter is now able to process files of any size
* FIXED issue 30 Scalar Field Plotter now works on Windows
* FIXED issue 29 Elements Database GUI now works properly
* FIXED issue 22 Normalisation now works correctly in Position Autocorrelation Function and General Autocorrelation Function
* FIXED issue 21 Opening an analysis that implements Atom Selection or Reference Basis no longer causes other analyses' GUI windows to crash when opened
* FIXED issue 17 MDANSE can now be opened on all recent versions of MacOS, including computers with the M1 chip
* FIXED issue 15 CASTEP converter now works on MD files with headers of any size
* CHANGED issue 42 The 'variable' box in 2D/3D Plotter is now larger and resizeable
* CHANGED issue 41 Improved the default names of output files of analyses and conversions. A number is also appended to prevent overwriting
* CHANGED (internal) issue 67 Where possible Scientific.IO.NetCDF has been replaced with netCDF4 package
* CHANGED issue 28 Simple Help is now formatted nicely
* CHANGED issue 24 Plotters no longer show variables which contain non-numeric values
* CHANGED (internal) issue 19 The CI/CD has been migrated to use GitHub Actions and GitHub-hosted runners
* CHANGED (internal) MDANSE is now maintained by the ISIS Neutron and Muon Source. Licensing and other documents now reflect this
version 1.5.0.ill (unreleased)
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* ADDED issue 59 Added smart_association in LAMMPS converter. When two or more masses are matching in a LAMMPS trajectory, and smart_association is set to True, we select the nearest one.
* FIXED issue 58 Some LAMMPS files could not be converted with MDANSE
* FIXED issue 57 On macOS, MDANSE did not use the embedded python
* CHANGED LAMMPS converter accepts now "0" as the number of steps (=> automatic detection of the steps number)
* CHANGED Default mass tolerance in LAMMPS converter in now 10^-3 instead of 10^-5
* CHANGED (internal) netCDF version has been updated on macOS