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83 Open 225 Closed
83 Open 225 Closed
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Issues list

[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
[BUG] DLPOLY trajectory with gradient information conversion failure. bug Something isn't working
#628 opened Jan 3, 2025 by ChiCheng45
[BUG] Directories keep getting created when the output file setting is changed bug Something isn't working GUI Something regarding the graphical user interface
#627 opened Jan 3, 2025 by ChiCheng45
[BUG] Switching from the trajectory jobs causes the other jobs to not load up properly bug Something isn't working
#625 opened Jan 2, 2025 by ChiCheng45
[BUG] KeyError when loading MoleculeWidget after running the trajectory editor job. bug Something isn't working
#624 opened Dec 19, 2024 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] Numerical derivatives job failure with small trajectories bug Something isn't working
#583 opened Oct 15, 2024 by ChiCheng45
[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
[ENHANCEMENT] Add job running and completion time. enhancement New feature or request
#559 opened Sep 25, 2024 by ChiCheng45
[BUG] Angular correlation results depend on the atom ordering of the molecule. bug Something isn't working
#556 opened Sep 23, 2024 by ChiCheng45
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