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ISISNeutronMuon
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MDANSE
MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx
GNU General Public License v3.0
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[BUG] Clean up trajectory files on job termination.
#342
ChiCheng45
opened
8 months ago
0
Correct authorship information
#341
MBartkowiakSTFC
closed
8 months ago
0
Added axis to 3d view
#340
ChiCheng45
closed
8 months ago
0
Atom mapping update
#339
ChiCheng45
closed
8 months ago
0
Atom colour update
#338
ChiCheng45
closed
8 months ago
0
remove unused code
#337
ChiCheng45
closed
8 months ago
0
[ENHANCEMENT] [BUG] What should be done with mass information from MD outputs?
#336
ChiCheng45
closed
8 months ago
1
[BUG] DL POLY atom label parsing issue
#335
ChiCheng45
closed
8 months ago
1
[ENHANCEMENT] A specialised widget for atom_aliases PythonObjectConfigurator
#334
MBartkowiakSTFC
closed
8 months ago
0
[ENHANCEMENT] Uniform converter behaviour
#333
MBartkowiakSTFC
opened
8 months ago
0
[ENHANCEMENT] Plotting should be a tab
#332
ChiCheng45
closed
4 months ago
0
[ENHANCEMENT] Trajectory editor
#331
MBartkowiakSTFC
opened
8 months ago
0
[ENHANCEMENT] Add an 'unknown' chemical element
#330
MBartkowiakSTFC
closed
8 months ago
0
[ENHANCEMENT] Allow interactive animation setting changes whilst its running.
#329
ChiCheng45
closed
2 months ago
0
Add qprocess job launching
#328
MBartkowiakSTFC
closed
8 months ago
5
DL_POLY convertor fix
#327
ChiCheng45
closed
8 months ago
2
Trajectory and job tab right click fix
#326
ChiCheng45
closed
8 months ago
0
Add the enabled property to configurable and test for it
#325
MBartkowiakSTFC
closed
8 months ago
0
[ENHANCEMENT] Disable/enable jobs in the GUI
#324
MBartkowiakSTFC
closed
8 months ago
0
[BUG] Trajectories with many atoms take too long to load
#323
MBartkowiakSTFC
closed
7 months ago
1
3d view tab update
#322
ChiCheng45
closed
8 months ago
0
Multiple window fix and triple panel update
#321
ChiCheng45
closed
8 months ago
0
Extend the ASE converter
#320
MBartkowiakSTFC
closed
8 months ago
0
[BUG] MDANSE_GUI crash on trajectory deletion in the trajectory tab
#319
ChiCheng45
closed
8 months ago
1
[ENHANCEMENT] Atom indexing should start from zero
#318
ChiCheng45
closed
7 months ago
1
[ENHANCEMENT] 3D Viewer atom list should be a tree
#317
MBartkowiakSTFC
opened
8 months ago
1
[BUG] Changing the atom size scaling causes crash with no trajectory loaded.
#316
ChiCheng45
closed
7 months ago
1
[BUG] NAMD trajectory conversion failure with files from MDANSE-Examples
#315
ChiCheng45
closed
7 months ago
0
[BUG] MDT files generated with CHARMM and NAMD trajectories from MDANSE-Examples fails to load properly
#314
ChiCheng45
closed
7 months ago
0
[BUG] Converter dialog does not store the working directory
#313
MBartkowiakSTFC
closed
5 months ago
1
[BUG] VASP trajectory conversion failure with files from MDANSE-Examples
#312
ChiCheng45
opened
8 months ago
0
[BUG] GROMACS trajectory conversion failure with files from MDANSE-Examples
#311
ChiCheng45
closed
6 months ago
1
[BUG] DL_POLY trajectory conversion failure with files from MDANSE-Examples
#310
ChiCheng45
closed
8 months ago
0
[BUG] CP2K trajectory conversion failure with files from MDANSE-Examples
#309
ChiCheng45
closed
8 months ago
2
[BUG] Right click delete can cause unexpected behaviour or a crash
#308
ChiCheng45
closed
8 months ago
0
[BUG] Loading a trajectory from the 3D viewer tab causes crashes later on when loading analysis
#307
ChiCheng45
closed
8 months ago
0
[BUG] CASTEP trajectory conversion failure with files from MDANSE-Examples
#306
ChiCheng45
closed
8 months ago
0
Fix gui bugs
#305
MBartkowiakSTFC
closed
8 months ago
4
[BUG] MDANSE_GUI crashes when the grouping_level option is changed
#304
ChiCheng45
closed
7 months ago
0
[BUG] MDANSE_GUI 3D View does not always switch to another trajectory
#303
MBartkowiakSTFC
closed
8 months ago
0
[BUG] MDANSE_GUI certain windows can be opened multiple times even for the same thing
#302
ChiCheng45
closed
8 months ago
0
[BUG] MDANSE_GUI crashes when loading the same trajectory twice and then deleting one of them
#301
ChiCheng45
closed
7 months ago
1
[BUG] MDANSE_GUI crashes when changing options in the trajectory converter
#300
ChiCheng45
closed
8 months ago
0
[BUG] MDANSE_GUI crashes when changing the frames options
#299
ChiCheng45
closed
8 months ago
1
atom selection performance fix
#298
ChiCheng45
closed
8 months ago
0
Fix gui bugs
#297
MBartkowiakSTFC
closed
8 months ago
0
[ENHANCEMENT] Create molecule labels and allow molecule selection in the GUI
#296
MBartkowiakSTFC
closed
3 months ago
1
[BUG] MDANSE_GUI fails to start with PyQt5 backend
#295
MBartkowiakSTFC
closed
1 month ago
2
[ENHANCEMENT] Stop user from running analysis job when invalid job settings are used
#294
ChiCheng45
closed
3 months ago
1
Updated the atom selector and added the front end atom selection helper
#293
ChiCheng45
closed
8 months ago
5
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