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88 Open 213 Closed
88 Open 213 Closed
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Issues list

[ENHANCEMENT] Update the MDAnalysis 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] Jobs writing to opened files. bug Something isn't working enhancement New feature or request
#608 opened Nov 15, 2024 by ChiCheng45
1
@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] Add communication between tabs enhancement New feature or request GUI Something regarding the graphical user interface
#600 opened Nov 10, 2024 by MBartkowiakSTFC
[ENHANCEMENT] Add checks to output file widgets enhancement New feature or request GUI Something regarding the graphical user interface
#599 opened Nov 10, 2024 by MBartkowiakSTFC
1
[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] Add .gro file support to the Gromacs converter enhancement New feature or request
#597 opened Nov 10, 2024 by MBartkowiakSTFC
@MBartkowiakSTFC
[ENHANCEMENT] Improve trajectory chunking enhancement New feature or request framework Something concerning the framework
#596 opened Nov 10, 2024 by MBartkowiakSTFC
1
@MBartkowiakSTFC
[BUG] German Keyboard GUI Problem bug Something isn't working enhancement New feature or request
#595 opened Nov 7, 2024 by Soulchemist97
1
@MBartkowiakSTFC
[ENHANCEMENT] Desktop icon for Linux enhancement New feature or request
#594 opened Nov 6, 2024 by pablogila
[BUG] Segmentation fault when trying to convert VASP MD trajectory using ASE. bug Something isn't working enhancement New feature or request
#592 opened Nov 4, 2024 by arm61
1
4
[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 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
1
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