issues
search
ISISNeutronMuon
/
MDANSE
MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
https://www.isis.stfc.ac.uk/Pages/MDANSEproject.aspx
GNU General Public License v3.0
20
stars
4
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
ROG remove weight setting
#387
ChiCheng45
closed
4 months ago
0
Remove failing analysis
#386
MBartkowiakSTFC
closed
4 months ago
0
Trajectory conversion updates and unit tests
#385
ChiCheng45
closed
5 months ago
0
[BUG] Trajectory editor jobs and atom selection
#384
ChiCheng45
opened
5 months ago
0
[BUG] Frames widget does not detect the trajectory length correctly
#383
MBartkowiakSTFC
closed
4 months ago
1
Fix to the pseudo-Voigt instrument
#382
ChiCheng45
closed
5 months ago
0
RootMeanSquareDeviation weight setting and documentation
#381
ChiCheng45
closed
4 months ago
0
[BUG] Why is the Radius of gyration calculated using the Eccentricity job not the same as the one from the RadiusOfGyration job?
#380
ChiCheng45
opened
5 months ago
0
Added unitless unit and fixed data not plottable for eccentricity jobs
#379
ChiCheng45
closed
5 months ago
2
[BUG] Eccentricity weight setting
#378
ChiCheng45
opened
5 months ago
0
[BUG] Radius of Gyration weight setting
#377
ChiCheng45
closed
4 months ago
0
[BUG] Some 2d plot previews are not oriented correctly
#376
ChiCheng45
closed
1 month ago
1
[BUG] When "weights" is used is the calculated result really a total?
#375
ChiCheng45
opened
5 months ago
0
Check if the "weights" setting is being used correctly
#374
ChiCheng45
opened
5 months ago
0
[ENHANCEMENT] Add unit cell axes labels to box in the 3D view
#373
ChiCheng45
opened
5 months ago
0
[BUG] Unexpected behaviour with fold coordinates into box option
#372
ChiCheng45
closed
4 months ago
0
Add unit cell updating for each frame in 3D Viewer
#371
MBartkowiakSTFC
closed
5 months ago
0
Add the basic About button with version information
#370
MBartkowiakSTFC
closed
5 months ago
0
[BUG] Velocity interpolation order 1 and 2 are equivalent
#369
ChiCheng45
closed
1 month ago
1
[BUG] pseudo-Voigt instrument resolution error
#368
ChiCheng45
closed
5 months ago
0
Updated so that the HDFInputFileConfigurator map to InputFileWidget
#367
ChiCheng45
closed
5 months ago
0
Fix ase converter box
#366
MBartkowiakSTFC
closed
5 months ago
0
Fix voronoi
#365
MBartkowiakSTFC
closed
5 months ago
0
[BUG] global motion filtered trajectory job failure.
#364
ChiCheng45
opened
5 months ago
0
[BUG] Eccentricity data not plottable
#363
ChiCheng45
closed
5 months ago
0
[BUG] Voronoi job failure
#362
ChiCheng45
closed
5 months ago
2
[BUG] Mean square displacement job status goes over 100% complete
#361
ChiCheng45
closed
1 month ago
0
[BUG] Velocity interpolation order 0 is not used
#360
ChiCheng45
closed
4 months ago
0
Add splash screen, window icon and other GUI improvements
#359
ChiCheng45
closed
4 months ago
0
[ENHANCEMENT] Add splash screen
#358
ChiCheng45
closed
4 months ago
1
Python 3.12 fix and removed NetCDF dependency
#357
ChiCheng45
closed
5 months ago
0
Atom selection dummy update
#356
ChiCheng45
closed
5 months ago
0
[ENHANCEMENT] Update MDANSE so that certain widgets do not block main window
#355
ChiCheng45
opened
5 months ago
0
Action tab analysis loading performance update
#354
ChiCheng45
closed
5 months ago
0
[BUG] Total DOS should be a sum of the atom DOS?
#353
ChiCheng45
closed
4 months ago
3
[BUG] Remove dummy atoms during conversion?
#352
ChiCheng45
closed
5 months ago
5
[ENHANCEMENT] Trajectory and chemical system refactor.
#351
ChiCheng45
opened
5 months ago
0
[ENHANCEMENT] Molecule bonding determination and labelling using rdkit
#350
ChiCheng45
closed
1 month ago
3
updated so that bonding to dummy atoms are removed in the 3D viewer
#349
ChiCheng45
closed
5 months ago
1
NAMD and CHARMM conversion fixes
#348
ChiCheng45
closed
5 months ago
0
Atom Properties speed-up in 3D view
#347
MBartkowiakSTFC
closed
5 months ago
3
Trajectory tab and 3D view updates.
#346
ChiCheng45
closed
5 months ago
0
Improved labels, corrected text output
#345
MBartkowiakSTFC
closed
5 months ago
0
[BUG] ASE converter fails to read the box size from extended XYZ files
#344
MBartkowiakSTFC
closed
5 months ago
0
[ENHANCEMENT] Improved resolution input
#343
MBartkowiakSTFC
closed
3 months ago
0
[BUG] Clean up trajectory files on job termination.
#342
ChiCheng45
opened
5 months ago
0
Correct authorship information
#341
MBartkowiakSTFC
closed
5 months ago
0
Added axis to 3d view
#340
ChiCheng45
closed
5 months ago
0
Atom mapping update
#339
ChiCheng45
closed
5 months ago
0
Atom colour update
#338
ChiCheng45
closed
5 months ago
0
Previous
Next