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41 Open 165 Closed
41 Open 165 Closed
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Issues list

passing the selected time of the kmc step back to DeferredRecipeSteps is brittle bug Something isn't working
#498 opened Oct 23, 2024 by jmbuhr
adding temporary bonds for reacting solvent molecules needs to check if they are already flexible (=already have bonds) bug Something isn't working
#497 opened Oct 18, 2024 by jmbuhr
check which log messages should be info and which actually debug
#482 opened Sep 11, 2024 by jmbuhr
docs: highlight colors
#480 opened Sep 9, 2024 by jmbuhr
refactor: clean up runmanger tasks
#479 opened Sep 4, 2024 by jmbuhr
testing: more detailed integration tests
#478 opened Sep 4, 2024 by jmbuhr
reading tprs bug Something isn't working
#477 opened Aug 28, 2024 by jmbuhr
3
truncate_sim_files not robust
#464 opened Jul 24, 2024 by ehhartmann
1
colbuilder tutorial documentation Improvements or additions to documentation
#463 opened Jul 23, 2024 by ehhartmann
pairs not updated during bond rupture of CG polymer bug Something isn't working Priority
#462 opened Jul 22, 2024 by caapontes
topology keys datatype enhancement New feature or request
#455 opened Jul 3, 2024 by jmbuhr
9
Rates unit
#450 opened Jun 25, 2024 by ehhartmann
1
small improvements
#447 opened Jun 25, 2024 by jmbuhr
1 of 7 tasks
Feedback on the tutorial documentation Improvements or additions to documentation
#443 opened Jun 17, 2024 by caapontes
Plumed file changes shouldnt be hardcoded
#442 opened Jun 17, 2024 by ehhartmann
2
can't parse newer charmm ff topologies
#434 opened Jun 7, 2024 by ehhartmann
add hydrolysis as example reaction plugin Priority
#426 opened Apr 17, 2024 by jmbuhr
@jmbuhr
radical_population analysis zero div error bug Something isn't working
#412 opened Mar 18, 2024 by KRiedmiller
CG test system not running Priority
#407 opened Mar 5, 2024 by ehhartmann
2 tasks
Collagen fibril test system not running Priority
#405 opened Mar 5, 2024 by ehhartmann
5 of 8 tasks
@ehhartmann
Ethyl test system not running Priority
#404 opened Mar 5, 2024 by ehhartmann
5 of 8 tasks
@ehhartmann
1
kimmdy logfile linking hardcoded
#400 opened Mar 1, 2024 by ehhartmann
undefined module in tutorial
#398 opened Mar 1, 2024 by jmbuhr
1
Parse aminoacids.rtp bondedtypes information
#386 opened Feb 26, 2024 by ehhartmann
hat_reaction changing kmc type not intuitive
#385 opened Feb 23, 2024 by emerbitz
4
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