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20 Open 13 Closed
20 Open 13 Closed
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Issues list

Wrong expression for TI energy derivative bug Something isn't working
#55 opened Dec 4, 2024 by jhenin
1
@jhenin
Make TI processing code compatible with newer Colvars options enhancement New feature or request
#54 opened Dec 3, 2024 by jhenin
2
AFEP parse is outdated bug Something isn't working
#52 opened Oct 13, 2024 by EzryStIago
1
@EzryStIago
Gromacs compatibility
#51 opened Oct 10, 2024 by EzryStIago
4 tasks
@EzryStIago
safepcli should not expect all legs to be there bug Something isn't working enhancement New feature or request
#50 opened Aug 29, 2024 by ttjoseph
@ttjoseph
cli needs sample data
#48 opened Jun 28, 2024 by EzryStIago
@EzryStIago
Sort through BatchProcessDraft (stale branch) housekeeping
#43 opened Jun 12, 2024 by EzryStIago
@EzryStIago
PEP8 Compliance, Plotting.py housekeeping
#40 opened Apr 22, 2024 by EzryStIago
@EzryStIago
Measure correlation between lambda and hysteresis enhancement New feature or request
#37 opened Feb 21, 2024 by EzryStIago
Linting and PEP8 compliance housekeeping
#33 opened Jul 26, 2023 by EzryStIago
@EzryStIago
API documentation documentation Improvements or additions to documentation
#29 opened Jun 2, 2023 by EzryStIago
2 of 4 tasks
@EzryStIago
Notebook issues enhancement New feature or request
#28 opened Jun 2, 2023 by EzryStIago
1 of 7 tasks
@EzryStIago
3
Put plotting commands in notebooks enhancement New feature or request
#23 opened Feb 19, 2023 by jhenin
1
Command line (AFEP_Parse) documentation Improvements or additions to documentation enhancement New feature or request
#17 opened Feb 2, 2023 by EzryStIago
1
Documentation documentation Improvements or additions to documentation
#16 opened Feb 2, 2023 by EzryStIago
1
Copy RFEP portion of tutorial notebook enhancement New feature or request
#15 opened Feb 2, 2023 by EzryStIago
Add dataframe storage for faster loading of old data enhancement New feature or request
#8 opened Sep 22, 2022 by EzryStIago
1
Add Comparisons of VdW and Electrostatic energies enhancement New feature or request
#7 opened Sep 22, 2022 by EzryStIago
Add dE comparisons for a whole dataframe enhancement New feature or request
#6 opened Sep 22, 2022 by EzryStIago
3
Add delta E comparison for a single window enhancement New feature or request
#5 opened Sep 22, 2022 by EzryStIago
ProTip! no:milestone will show everything without a milestone.