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84 Open 195 Closed
84 Open 195 Closed
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Issues list

Multitheading and MPI
#1067 opened Feb 24, 2025 by simonganne01
GeometryOptimization: minimize_energy! doesn't return the relaxed result of a lattice relaxation
#1066 opened Feb 23, 2025 by thomsen59
2
Band structure calculations and SCF restarts wrong for meta-GGA functionals bug Something isn't working
#1065 opened Feb 20, 2025 by aouinaayoub
4
HGH cleanup
#1064 opened Feb 17, 2025 by raphaelzstone
2
No way to plot bands written by save_bands
#1052 opened Jan 29, 2025 by Technici4n
4
Saving scfres to JSON should pretty-print
#1048 opened Jan 15, 2025 by Technici4n
1
Stress computation can use a lot of RAM
#1032 opened Dec 10, 2024 by Technici4n
1
Multi-threading multiplication with Hamiltonian blocks yields wrong results
#1017 opened Nov 13, 2024 by jonas-pueschel
2
Store form factors
#1009 opened Oct 18, 2024 by antoine-levitt
Should Model directly subtype AbstractSystem? discussion Discussion thread of broader scope
#1007 opened Oct 14, 2024 by rkurchin
1
3
PAW
#987 opened Jul 9, 2024 by antoine-levitt
14
Fast Bessel transform?
#986 opened Jul 9, 2024 by antoine-levitt
Eigensolver not converged bug Something isn't working
#979 opened Jun 5, 2024 by mfherbst
1
1
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
7
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
Elastic constants
#884 opened Sep 20, 2023 by antoine-levitt
7
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