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73 Open 187 Closed
73 Open 187 Closed
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Issues list

compute_bands doesn't work for a non-atomic system in 3D. bug Something isn't working
#976 opened May 24, 2024 by JaydevSR
2
Threading + MPI
#974 opened May 23, 2024 by antoine-levitt
6
Custom pseudopotential identifier fails on irrfbz_path
#968 opened Mar 20, 2024 by niklasschmitz
1
Check normalization of pseudo wave functions
#967 opened Mar 19, 2024 by antoine-levitt
Document symmetries differences wrt other codes
#952 opened Feb 2, 2024 by antoine-levitt
1
@epolack
2
Exact exchange status good first issue Good for newcomers
#943 opened Jan 4, 2024 by mfherbst
5 tasks
Maybe plot non-converged bands differently
#938 opened Dec 27, 2023 by Technici4n
1
8
Use BenchmarkCI to automatically detect major runtime regressions testing Test system and test improvements
#923 opened Dec 9, 2023 by mfherbst
1
3
Make sure guess_density returns something with correct total charge
#917 opened Dec 1, 2023 by antoine-levitt
Fix phase when possible
#904 opened Nov 13, 2023 by antoine-levitt
2
Space group numbers and symmetries
#896 opened Oct 15, 2023 by mfherbst
Stresses need an unreasonable amount of memory and runtime
#893 opened Oct 9, 2023 by mfherbst
1
Elastic constants
#884 opened Sep 20, 2023 by antoine-levitt
7
Some characters in https://docs.dftk.org/dev/developer/symmetries/#Crystal-symmetries are not rendered
#871 opened Aug 3, 2023 by singularitti
11
Multicomponent
#849 opened Apr 14, 2023 by antoine-levitt
4
GPU-friendly G-vector optimizations and de-duplication of form factor calculation gpu Label for GPU-related issues
#825 opened Feb 17, 2023 by azadoks
10
Integrate with PseudoPotentialIO
#823 opened Feb 15, 2023 by azadoks
construct_value good first issue Good for newcomers
#818 opened Feb 10, 2023 by antoine-levitt
1
AD wrong with symmetries
#817 opened Feb 9, 2023 by epolack
2
Blochpocalypse discussion Discussion thread of broader scope
#810 opened Jan 9, 2023 by antoine-levitt
7
Split up tests for Mac and Windows testing Test system and test improvements
#799 opened Dec 12, 2022 by mfherbst
GPU TODO list discussion Discussion thread of broader scope gpu Label for GPU-related issues
#798 opened Dec 9, 2022 by GVigne
3 of 10 tasks
GPU performance issues gpu Label for GPU-related issues
#794 opened Dec 5, 2022 by GVigne
10
Figure out an API for SCF / ground state algorithms API Interface-related issues or PRs
#790 opened Nov 23, 2022 by LaurentVidal95
9
Reduce the transfer to CPU of the occupation array gpu Label for GPU-related issues
#789 opened Nov 23, 2022 by GVigne
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