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26 Open 46 Closed
26 Open 46 Closed
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Issues list

Cluster module with active_shell does not work when the cluster displays a banner bug Something isn't working
#197 opened Mar 13, 2024 by mesonepigreco 1.5
1
Error when executing in parallel and getting an imagiary frequency bug Something isn't working
#196 opened Feb 19, 2024 by mesonepigreco 1.5
force_calculated not correctly updated when compute_ensemble is called bug Something isn't working
#193 opened Feb 12, 2024 by mesonepigreco
2
Error PyCall while installing with micromamba
#178 opened Dec 8, 2023 by ccigna
1
Error during Symmetrization with custom gradient.
#173 opened Nov 7, 2023 by JonathanSchmidt1
2
wrong units in Phonons.load_phonopy() bug Something isn't working
#167 opened Oct 20, 2023 by kw600
2
vasp-phonopy-sscha problems
#164 opened Oct 11, 2023 by caolz
11
Need an example SSCHA run with VASP
#161 opened Sep 27, 2023 by chenyubi14
11
Add an input validation for the cluster enhancement New feature or request
#145 opened Jul 25, 2023 by mesonepigreco 1.5
Comply with PEP 8 and PEP 621 standards
#138 opened Jul 12, 2023 by bastonero
21
A clearer error message when the cluster fails cleaning cleaning of the code
#137 opened Jul 5, 2023 by mesonepigreco 1.5
sscha.Utilities.save_binary throws TypeError: cannot pickle '_thread.lock' object when trying to save sscha.Relax.SSCHA object into file bug Something isn't working
#114 opened Dec 30, 2022 by Kurufinve 1.3
@mesonepigreco
Restoring the sscha.Relax.SSCHA object from the saved data
#105 opened Sep 12, 2022 by Kurufinve
2
Set a maxtime for the relaxation enhancement New feature or request
#90 opened May 18, 2022 by mesonepigreco 1.2
@mesonepigreco
Symmetry reduction of the elements and avoid storage in memory of all elements in the 3rd and 4th order force constants
#84 opened May 9, 2022 by mesonepigreco 2.0
@josudiego
1
More efficient calculation of the third-order force constants: 1. Not passing so often between Python and Fortran (Dorde) enhancement New feature or request
#83 opened May 9, 2022 by mesonepigreco 2.0
@DjordjeDangic
New sampling mechanisms (Sobol, Giustino) enhancement New feature or request
#82 opened May 9, 2022 by mesonepigreco 2.0
@diegomartinez2
12
Symmetries in the supercell with Q-space symmetrization enhancement New feature or request
#81 opened May 9, 2022 by mesonepigreco 2.0
error while interpolation of 2x2x2 SSCHA dyn_mat using a 4x4x4 harmonic dyn_mat bug Something isn't working
#79 opened May 6, 2022 by mesonepigreco
@mesonepigreco @rafbianco
5
4th order correction D4V breaks symmetry bug Something isn't working
#53 opened Sep 27, 2021 by ionerrea
2
Eigenvalues did not converge during minimization bug Something isn't working
#52 opened Jul 29, 2021 by mesonepigreco 1.2
4
Segmentation Fault in Hessian calculation bug Something isn't working
#41 opened Mar 21, 2021 by mesonepigreco
The save_bin of ensemble does not save all the info
#27 opened Jun 19, 2020 by mesonepigreco
Q points when symmetries are deactivated cleaning cleaning of the code enhancement New feature or request
#23 opened Jun 3, 2020 by mesonepigreco 1.2
2
Remove some junk files created when the population is generated cleaning cleaning of the code
#20 opened May 22, 2020 by rafbianco 1.2
3
ProTip! Updated in the last three days: updated:>2024-09-10.