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84 Open 231 Closed
84 Open 231 Closed
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Issues list

[ENHANCEMENT] Combine atom selection and grouping enhancement New feature or request framework Something concerning the framework
#644 opened Jan 28, 2025 by MBartkowiakSTFC
[BUG] XRayStaticStructureFactor failure bug Something isn't working
#641 opened Jan 24, 2025 by ChiCheng45
1
[BUG] CP2K velocity file widget is not optional bug Something isn't working GUI Something regarding the graphical user interface
#640 opened Jan 24, 2025 by MBartkowiakSTFC
[ENHANCEMENT] Statistical analysis of structural parameters enhancement New feature or request
#639 opened Jan 20, 2025 by sanghamitra-mukhopadhyay
[BUG] Discover converter does not appear to be reading the correct timestep bug Something isn't working
#638 opened Jan 17, 2025 by ChiCheng45
[ENHANCEMENT] Change how trajectory editor determines molecules enhancement New feature or request
#637 opened Jan 16, 2025 by ChiCheng45
[BUG] Running a few trajectory conversions at the same time might cause their files to not be written bug Something isn't working
#629 opened Jan 3, 2025 by ChiCheng45
[ENHANCEMENT] Update MDAnalysis converter enhancement New feature or request
#621 opened Dec 11, 2024 by ChiCheng45
@ChiCheng45
[BUG] Python3.13 stability bug Something isn't working enhancement New feature or request framework Something concerning the framework GUI Something regarding the graphical user interface
#614 opened Nov 25, 2024 by MBartkowiakSTFC
[ENHANCEMENT] Update the MDAnalysis/MDTraj coordinate input widget and configurator enhancement New feature or request
#612 opened Nov 19, 2024 by ChiCheng45
[ENHANCEMENT] Trajectory plotting enhancement New feature or request framework Something concerning the framework GUI Something regarding the graphical user interface
#609 opened Nov 18, 2024 by MBartkowiakSTFC
[BUG] Kill MDANSE job when 'No space left on device' errors occur. bug Something isn't working enhancement New feature or request
#606 opened Nov 14, 2024 by ChiCheng45
[ENHANCEMENT] Job progress reporting (in command line) enhancement New feature or request framework Something concerning the framework
#605 opened Nov 14, 2024 by MBartkowiakSTFC
[ENHANCEMENT] Save modified trajectory visualisation settings enhancement New feature or request framework Something concerning the framework GUI Something regarding the graphical user interface
#598 opened Nov 10, 2024 by MBartkowiakSTFC
[ENHANCEMENT] Desktop icon for Linux enhancement New feature or request
#594 opened Nov 6, 2024 by pablogila
[ENHANCEMENT] Update the radius of gyration job so that is relevant to SANS experiments enhancement New feature or request
#591 opened Nov 1, 2024 by ChiCheng45
[BUG] PDF calculation fails for trajectories containing dummy atoms. bug Something isn't working enhancement New feature or request
#589 opened Oct 22, 2024 by MBartkowiakSTFC
[BUG] Job progress bar does not reach 100% for idle processes bug Something isn't working GUI Something regarding the graphical user interface
#584 opened Oct 15, 2024 by MBartkowiakSTFC
[BUG] Unfolded trajectory does not make the trajectory contiguous bug Something isn't working
#581 opened Oct 15, 2024 by ChiCheng45
[BUG] Average structure job for simulation without a unit cell bug Something isn't working
#578 opened Oct 15, 2024 by ChiCheng45
[BUG] Some visual and status issues with the progress table bug Something isn't working GUI Something regarding the graphical user interface
#574 opened Oct 14, 2024 by ChiCheng45
[ENHANCEMENT] Update the single plotting so that it uses the linestyle and marker setting enhancement New feature or request
#569 opened Oct 7, 2024 by ChiCheng45
[BUG] Atom property changes are lost when the trajectories are changed. bug Something isn't working
#567 opened Oct 7, 2024 by ChiCheng45
[ENHANCEMENT] Save the some information about the q-vectors that were generated. enhancement New feature or request
#564 opened Oct 2, 2024 by ChiCheng45
1
[ENHANCEMENT] Add job running and completion time. enhancement New feature or request
#559 opened Sep 25, 2024 by ChiCheng45
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