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Issues list

Run crest command CREST enhancement New feature or request plugin
#52 by matterhorn103 was closed Dec 11, 2024
Add tautomerization to plugin CREST enhancement New feature or request plugin
#49 by matterhorn103 was closed Dec 11, 2024
Move CREST settings to the main settings menu enhancement New feature or request
#42 by matterhorn103 was closed Dec 4, 2024
Run command broken bug Something isn't working plugin
#41 by matterhorn103 was closed Dec 11, 2024
Parse partial charges enhancement New feature or request
#33 by matterhorn103 was closed Dec 12, 2024
Run in parallel enhancement New feature or request
#32 by matterhorn103 was closed Nov 7, 2024
Set up logging
#25 by matterhorn103 was closed Oct 18, 2024
Add platformdirs as a dependency
#20 by matterhorn103 was closed Oct 18, 2024
Add an "About avo-xtb" window enhancement New feature or request
#17 by matterhorn103 was closed Oct 21, 2024
Add explicit solvent shell generation [CREST] enhancement New feature or request
#16 by matterhorn103 was closed Dec 4, 2024
Add protonation screening enhancement New feature or request
#15 by matterhorn103 was closed Oct 22, 2024
Switch to and fully support CREST 3.0
#14 by matterhorn103 was closed Aug 30, 2024
1 of 6 tasks
Switch to xtb 6.7
#12 by matterhorn103 was closed Aug 30, 2024
1 of 4 tasks
Add button to open crest docs enhancement New feature or request
#11 by matterhorn103 was closed Oct 18, 2024
Windows 10, Run... does not work
#5 by Ineluki80 was closed Feb 26, 2024
ProTip! Adding no:label will show everything without a label.