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1.4.0Release 1.4.0
- FIXED issue #56 Layout on Windows differed from macOS and Linux (we keep Windows Layout: "Data" on top, "Plugins" below)
- FIXED issue #55 Plotter (1D, 2D, Plotter, NetCDF Plotter) had several issues (see #55)
- FIXED issue #54 Some Gromacs trajectories cannot be opened (due to the presence of "M" dummy atoms)
- FIXED issue #53 VASP NPT trajectories could not be opened
- FIXED issue #52 QVector circular lattice generator created an error
- FIXED issue #51 SFFSF job was accessible from MMTK trajectory and molecular viewer
- FIXED issue #50 Some results could be inconsistent when using multiple atom selections
- FIXED issue #49 Some LAMMPS files could not be converted
- FIXED issue #48 There was an error in NDTSF analysis
- FIXED issue #47 GUI converter did not close
- CHANGED (internal) Docker build has been changed
- CHANGED (internal) macOS build has been changed
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1.3.0Release 1.3.0
- ADDED Neutron Dynamic Total Structure Factor analysis
- ADDED User can now launch a script with qvector parameters instead of saved qvector definition
- FIXED issue #45 MSD computing on non-orthorombic universe was wrong (fixed with new mmtk version) /!\ Modifies MSD, VACF and DoS, and maybe others... /!\ Units in MMTK have slightly changed
- FIXED issue #44 An error message appeared when display, close and reopen molecular viewer and animation plugins
- FIXED issue #43 The weights are no more normalized with absolute sum /!\ Modifies at least CCF, DCSF and SSF job behavior
- FIXED issue #42 Plotter units could be inconsistent
- FIXED issue #41 Instrument resolution window froze GUI on macOS
- FIXED issue #40 MDANSE could not be used on Ubuntu Bionic systems (due to vtk dependency name)
- FIXED issue #38 Interface was frozen when jobs were launched. A delay of 2s is added at the end of jobs before suppressing the status file
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1.2.0Release 1.2.0
- ADDED issue #27 Better error handling when an error occurs when running an analysis from the GUI
- ADDED issue #10 Implemented Gromacs trajectory converter
- FIXED issue #36 Jobs could not be launched on Windows machines
- FIXED issue #35 Result of RBT was incorrect /!\ Modifies API (removes stepwise parameter) /!\ Modifies job behavior
- FIXED issue #32 Result of DCSF was incorrect (the QVectors changed over frames) /!\ Modifies job behavior
- FIXED issue #31 Result of RMSD was incorrect (the sqrt was not applied) /!\ Modifies job behavior
- FIXED issue #30 Normalization of VACF total value was incorrect /!\ Modifies job behavior
- FIXED issue #29 Some jobs (AC, CCF, DOS, DACF, DCSF, DISF, GACF, GDISF, MSD, PACF, RMSD, VACF) did not behave properly if first time of the MD is not zero /!\ Modifies jobs behaviors
- FIXED issue #28 The time step is now part of the settings for DCD based converters /!\ Modifies API (with default value) /!\ Modifies jobs CHARMM, NAMD and XPLOR behaviors
- FIXED issue #26 Data can be deleted from the GUI
- FIXED issue #25 The plotter is now compliant with all matplotlib versions (was crashing on ubuntu-xenial)
- FIXED issue #24 Q vectors in CCF Job were incorrect /!\ Modifies job behavior
- FIXED issue #21 "Save a template for new analysis" button produced an error
- FIXED issue #20 Opening the theoretical help on MacOS is now OK
- FIXED issue #18 The items of the checkable combobox are now checkable on Windows
- FIXED issue #16 The file filter combo box is now available from the input file dialog on MacOS
- CHANGED (internal) issue #34 source code is moved to Src/ instead of MDANSE/
- CHANGED (internal) MDANSE can now be built without documentation
- CHANGED (internal) issue #33 The macOS dmg is now ligher than before
- CHANGED (internal) MDANSE is now built with system python on macOS (2.7.10)
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1.0.12 this is version 1.0.12
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1.0.11 this is version 1.0.11
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1.0.10 this is version 1.0.10
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1.0.9 this is version 1.0.9
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1.0.8 this is version 1.0.8
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1.0.7 This is version 1.0.7
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1.0.6.a this is version 1.0.6.a
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1.0.6 this is version 1.0.6
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1.0.5 this is versin 1.0.5
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1.0.4 version 1.0.4
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1.0.4.rc4 version 1.0.4.rc4