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17 Open 2 Closed
17 Open 2 Closed
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Issues list

Add module purge to auto-generated slurm scripts
#20 opened May 16, 2023 by timcallow
Change default output from .xml to .json enhancement New feature or request not critical
#18 opened Jan 11, 2022 by RandomDefaultUser
Implement parallelization info critical enhancement New feature or request
#16 opened Sep 6, 2021 by RandomDefaultUser
Integrate with other workflow? discussion question Further information is requested
#15 opened Aug 16, 2021 by RandomDefaultUser
2
Add seperate parameter to specify post-processing executable extension not critical
#14 opened Aug 16, 2021 by RandomDefaultUser
Implement automatic download of .cif files critical extension
#13 opened Aug 16, 2021 by RandomDefaultUser
Implement MD performance check critical extension
#12 opened Aug 16, 2021 by RandomDefaultUser
Read number of electrons from pseudopotential file extension not critical
#10 opened Aug 16, 2021 by RandomDefaultUser
FInd a better way for initial convergence guesses extension not critical
#9 opened Aug 16, 2021 by RandomDefaultUser
Find a better way for cell transformation matrices extension not critical
#8 opened Aug 16, 2021 by RandomDefaultUser
4
Improve runners critical extension
#7 opened Aug 16, 2021 by RandomDefaultUser
2 tasks
Fix the entire MD parameter .xml structure bug Something isn't working not critical
#6 opened Aug 16, 2021 by RandomDefaultUser
Implement flexible k-grid calculation extension not critical
#5 opened Aug 16, 2021 by RandomDefaultUser
6
Find some clever way to handle mixing bug Something isn't working critical
#4 opened Aug 16, 2021 by RandomDefaultUser
Fix number of bands bug Something isn't working critical
#3 opened Aug 16, 2021 by RandomDefaultUser
Add consistency checks critical extension
#2 opened Aug 16, 2021 by RandomDefaultUser
Implement NSCF calculations extension not critical
#1 opened Aug 15, 2021 by RandomDefaultUser
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