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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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Remove hardcoded background colour in the GUI dialogs
#432
MBartkowiakSTFC
closed
2 months ago
0
[BUG] Unusual RDF result in pair distribution function job.
#431
ChiCheng45
closed
2 weeks ago
1
Lammps converter fix
#430
MBartkowiakSTFC
closed
2 months ago
3
Add missing build dependencies to readthedoc files
#429
MBartkowiakSTFC
closed
2 months ago
0
Fix pdb conversion
#428
ChiCheng45
closed
2 months ago
0
Documentation update
#427
ChiCheng45
closed
2 months ago
0
Correct the package tags for PyPI and installation instructions
#426
MBartkowiakSTFC
closed
2 months ago
0
QAction fix for import issues on some setups.
#425
ChiCheng45
closed
2 months ago
1
[BUG] On Mac `File -> Open` in top-bar, not GUI bar
#424
oerc0122
opened
2 months ago
0
Fixed and added infrared jobs
#423
ChiCheng45
closed
2 months ago
3
Extend unit tests
#422
MBartkowiakSTFC
closed
2 months ago
0
[ENHANCEMENT] LAMMPS converter unit specification
#421
MBartkowiakSTFC
closed
2 months ago
0
Save input parameters in output files
#420
MBartkowiakSTFC
closed
2 months ago
1
Atom transmutation update
#419
ChiCheng45
closed
2 months ago
0
Visual improvements
#418
MBartkowiakSTFC
closed
2 months ago
0
Correct RMSD documentation and remove RMSD weight setting.
#417
ChiCheng45
closed
2 months ago
0
Update to the DOS calculation.
#416
ChiCheng45
closed
2 months ago
0
Add resolution helper
#415
MBartkowiakSTFC
closed
2 months ago
3
[BUG] Problems starting MDANSE_GUI on openSUSE with Wayland
#414
MBartkowiakSTFC
opened
2 months ago
0
Remove the calculation of formatted time string from Status
#413
MBartkowiakSTFC
closed
2 months ago
1
[ENHANCEMENT] Preview for Configurator outputs
#412
MBartkowiakSTFC
closed
1 month ago
0
Update DOS documentation
#411
ChiCheng45
opened
3 months ago
0
Fix action tab for trajectories with the same filename
#410
ChiCheng45
closed
3 months ago
0
Updated frames configurator
#409
ChiCheng45
closed
3 months ago
0
[BUG] Why does the DOS go less then zero and why do they have negative frequencies?
#408
ChiCheng45
closed
2 months ago
2
[BUG] Update the information panel data in the actions tab
#407
ChiCheng45
opened
3 months ago
0
Updated the ROG docs
#406
ChiCheng45
closed
3 months ago
0
[BUG] Check that the documentation and code for the analysis jobs are consistent and correct
#405
ChiCheng45
opened
3 months ago
0
[BUG] Documentation of Radius Of Gyration does not agree with the code
#404
ChiCheng45
closed
3 months ago
0
Velocity interpolation order 0 fix
#403
ChiCheng45
closed
3 months ago
0
Fixed trajectory conversion labels
#402
ChiCheng45
closed
3 months ago
0
[BUG] Atom transmutation
#401
ChiCheng45
closed
2 months ago
0
move images files and fixed manifest
#400
ChiCheng45
closed
3 months ago
0
[ENHANCEMENT] Update angular correlation and molecule related jobs
#399
ChiCheng45
opened
3 months ago
1
Remove qhull
#398
MBartkowiakSTFC
closed
3 months ago
0
Make headers GPL compliant and removed __pkginfo__
#397
MBartkowiakSTFC
closed
3 months ago
1
fix parameter and labelling bug
#396
ChiCheng45
closed
3 months ago
0
Discard the parameter label in Configurable.setup
#395
MBartkowiakSTFC
closed
3 months ago
0
Change colour parsing in plot_1d_model
#394
MBartkowiakSTFC
closed
3 months ago
0
Packaging and github actions updates
#393
ChiCheng45
closed
3 months ago
0
Automatic molecule labels from MoleculeFinder
#392
MBartkowiakSTFC
closed
3 months ago
3
[BUG] GUI crash in plotter window on "Lines settings"
#391
MBartkowiakSTFC
closed
3 months ago
0
[BUG] VASP trajectory conversion failure
#390
ChiCheng45
closed
3 months ago
1
Group level configurator fix
#389
ChiCheng45
closed
3 months ago
0
Coordinate folding change
#388
ChiCheng45
closed
3 months ago
0
ROG remove weight setting
#387
ChiCheng45
closed
3 months ago
0
Remove failing analysis
#386
MBartkowiakSTFC
closed
3 months ago
0
Trajectory conversion updates and unit tests
#385
ChiCheng45
closed
3 months ago
0
[BUG] Trajectory editor jobs and atom selection
#384
ChiCheng45
opened
3 months ago
0
[BUG] Frames widget does not detect the trajectory length correctly
#383
MBartkowiakSTFC
closed
3 months ago
1
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