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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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Numpy2 cleanup
#481
MBartkowiakSTFC
closed
5 hours ago
0
Reactivate metadata printout in Plot Creator
#480
MBartkowiakSTFC
closed
1 day ago
0
[BUG] Potential problems with Numpy 2
#479
MBartkowiakSTFC
closed
5 hours ago
0
[BUG] Coordination Number default parameters
#478
MBartkowiakSTFC
opened
1 week ago
0
Add cumulative time-averaged results to thermodynamic jobs
#477
ChiCheng45
closed
1 week ago
2
documentation update
#476
ChiCheng45
closed
1 week ago
2
The spatial density and refolded membrane jobs
#475
ChiCheng45
opened
2 weeks ago
0
[BUG] Why are there large negative values of the static structure factor as q->0
#474
ChiCheng45
opened
2 weeks ago
1
[BUG] Change default r and q values for the static structure factor
#473
ChiCheng45
opened
2 weeks ago
1
[BUG] multiprocessing jobs cannot be aborted
#472
MBartkowiakSTFC
opened
2 weeks ago
0
Minimal multiprocessing improvement
#471
MBartkowiakSTFC
closed
2 weeks ago
0
Distance cutoff widget update
#470
ChiCheng45
closed
2 weeks ago
0
Update github actions
#469
ChiCheng45
closed
2 weeks ago
0
[BUG] Update the github actions
#468
ChiCheng45
closed
2 weeks ago
0
Scattering correlation update 2
#467
ChiCheng45
closed
2 weeks ago
1
[BUG] How important is the imaginary part of F(q, t)?
#466
ChiCheng45
opened
2 weeks ago
1
Average structure analysis
#465
MBartkowiakSTFC
closed
2 weeks ago
2
[BUG] DCSF assumes f(q,t)_AB = f(q,t)_BA is this correct?
#464
ChiCheng45
closed
2 weeks ago
3
Disable jobs with no atoms selected
#463
MBartkowiakSTFC
closed
3 weeks ago
0
[ENHANCEMENT] Set the maximum r value with the PDF job.
#462
ChiCheng45
closed
2 weeks ago
0
[BUG] Crash when no atom are selected
#461
ChiCheng45
closed
3 weeks ago
0
Trajectory wrapper: support for H5MD
#460
MBartkowiakSTFC
closed
2 weeks ago
1
[BUG] NeutronDynamicTotalStructureFactor: mismatch between default DISF and DCSF parameters
#459
MBartkowiakSTFC
closed
2 weeks ago
0
[ENHANCEMENT] Q vector generation: load a user-provided array
#458
MBartkowiakSTFC
opened
3 weeks ago
0
Improve GUI layout
#457
MBartkowiakSTFC
closed
2 weeks ago
0
Scattering correlation update 1
#456
ChiCheng45
closed
3 weeks ago
2
Change EISF weight default
#455
ChiCheng45
closed
3 weeks ago
0
Split plotting gui
#454
MBartkowiakSTFC
closed
2 days ago
6
Pair distribution function with supercell setting
#453
ChiCheng45
closed
4 weeks ago
7
Multiprocessing jobs
#452
MBartkowiakSTFC
closed
2 weeks ago
2
widget window fix
#451
ChiCheng45
closed
1 month ago
0
[BUG] Numerical derivatives test: inaccuracies for some cases
#450
ChiCheng45
closed
1 month ago
2
update IR jobs to use correlation frames
#449
ChiCheng45
closed
1 month ago
0
[BUG] Job trajectory widgets open up in its own windows
#448
ChiCheng45
closed
1 month ago
0
[BUG] DISF calculation: CPU usage cannot be controlled
#447
MBartkowiakSTFC
closed
2 weeks ago
0
[ENHANCEMENT] Q vector generation: path in reciprocal space
#446
MBartkowiakSTFC
opened
1 month ago
3
Q Vector generator fix
#445
MBartkowiakSTFC
closed
1 month ago
4
Correlation update for Angular correlation, DOS, MSD, PACF and VACF
#444
ChiCheng45
closed
1 month ago
0
[ENHANCEMENT] DASK and MDANSE
#443
ChiCheng45
opened
1 month ago
0
[ENHANCEMENT] Temperature calculation on conversion
#442
MBartkowiakSTFC
opened
1 month ago
1
Output xaxis preview
#441
MBartkowiakSTFC
closed
1 month ago
0
Add tags to output datasets in MDA files
#440
MBartkowiakSTFC
closed
1 month ago
0
Atom int name selection fix
#439
ChiCheng45
closed
1 month ago
2
[BUG] Unexpected normalisation of DOS results
#438
MBartkowiakSTFC
opened
1 month ago
2
simplify json selection setting
#437
ChiCheng45
closed
1 month ago
0
[ENHANCEMENT] Phonon dispersion/dynamical matrix calculation
#436
MBartkowiakSTFC
opened
1 month ago
0
[ENHANCEMENT] change correlation function so that the number of configurations used to determine the average is the same for all times
#435
ChiCheng45
opened
1 month ago
2
3D selection update
#434
ChiCheng45
closed
1 month ago
3
Reduce the number of workflows triggered per commit
#433
MBartkowiakSTFC
closed
2 months ago
0
Remove hardcoded background colour in the GUI dialogs
#432
MBartkowiakSTFC
closed
2 months ago
0
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