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17 Open 41 Closed
17 Open 41 Closed
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Issues list

Crystal17 fails to write correct symmetry operations in fort.34 file
#73 opened Nov 6, 2024 by akvatol
@blokhin
1
Successful CRYSTAL output is treated as erroneous in a workflow blocker bug Something isn't working enhancement New feature or request
#71 opened Jul 21, 2024 by blokhin
@akvatol
2
Failing *recursive_update* due to the details in the template bug Something isn't working
#66 opened Dec 18, 2022 by blokhin
2
Non-informative errors if yascheduler fails bug Something isn't working enhancement New feature or request
#63 opened Aug 21, 2022 by blokhin
5
Additional workflow step to check a non-magnetic state energy enhancement New feature or request
#62 opened Aug 16, 2022 by blokhin
@blokhin
3
Cosmetic improvement of the exponential notation enhancement New feature or request
#58 opened Apr 8, 2021 by blokhin
@akvatol
2
AiiDA apparently confuses *p*- and *sp*-orbitals in our basis set implementation bug Something isn't working enhancement New feature or request
#57 opened Mar 28, 2021 by blokhin
@akvatol
1
guess_spinlock: NotImplementedError: Structure does not contain transition elements bug Something isn't working enhancement New feature or request
#56 opened Mar 28, 2021 by blokhin
1
Verdi daemon workers may consume all the RAM easily invalid This doesn't seem right question Further information is requested
#55 opened Mar 28, 2021 by blokhin
MPDS-AiiDA workflow has internal check inconsistency bug Something isn't working enhancement New feature or request
#54 opened Mar 28, 2021 by blokhin
@akvatol
Phonon template problem bug Something isn't working enhancement New feature or request
#53 opened Feb 22, 2021 by blokhin
@akvatol
3
Add *get_geometry* from MPDS workflows to the *outline* enhancement New feature or request
#52 opened Feb 12, 2021 by blokhin
1
D12 schema section fock_mixing should be merged with numerical invalid This doesn't seem right question Further information is requested
#49 opened Dec 12, 2020 by blokhin
Spelling: optimise should be optimize everywhere enhancement New feature or request
#48 opened Dec 9, 2020 by blokhin
@blokhin
Fort.25 parser bands problem
#47 opened Sep 24, 2020 by blokhin
@blokhin
1
SPECIAL_K still misses some cases
#46 opened Sep 23, 2020 by blokhin
3
Gaussian basis set handling is distributed (and re-implemented) across 3 different spots enhancement New feature or request
#34 opened Mar 26, 2020 by blokhin
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