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Improve CIF checking, support for isotopes, and correct handling of n… Deploy Jekyll with GitHub Pages dependencies preinstalled #133: Commit f463ac1 pushed by janosh
January 17, 2024 08:51 1m 9s master
master
January 17, 2024 08:51 1m 9s
Improve handling of Vasprun POTCAR search, expanded fake POTCAR libra… Deploy Jekyll with GitHub Pages dependencies preinstalled #132: Commit 181c365 pushed by janosh
January 17, 2024 08:43 1m 38s master
master
January 17, 2024 08:43 1m 38s
Fix ValueError: Invalid fmt with Structure.to(fmt='yml') (#3557) Deploy Jekyll with GitHub Pages dependencies preinstalled #131: Commit c14d67e pushed by janosh
January 16, 2024 09:55 1m 5s master
master
January 16, 2024 09:55 1m 5s
Add magmom support in get_phonopy_structure (#3555) Deploy Jekyll with GitHub Pages dependencies preinstalled #130: Commit 88921da pushed by janosh
January 15, 2024 14:08 1m 11s master
master
January 15, 2024 14:08 1m 11s
Retain Structure.properties in structure_from_abivars()/`structur… Deploy Jekyll with GitHub Pages dependencies preinstalled #129: Commit 31981d5 pushed by janosh
January 15, 2024 12:05 1m 9s master
master
January 15, 2024 12:05 1m 9s
Accept Path objects as filename in IStructure.to() (#3553) Deploy Jekyll with GitHub Pages dependencies preinstalled #128: Commit 2ec68d7 pushed by janosh
January 15, 2024 11:45 1m 0s master
master
January 15, 2024 11:45 1m 0s
Allow for writing of Structure.site_properties as _atom_site_ fla… Deploy Jekyll with GitHub Pages dependencies preinstalled #127: Commit db20521 pushed by janosh
January 14, 2024 15:51 1m 7s master
master
January 14, 2024 15:51 1m 7s
fix pmg paper readme badge Deploy Jekyll with GitHub Pages dependencies preinstalled #126: Commit 3a754c1 pushed by janosh
January 14, 2024 15:06 59s master
master
January 14, 2024 15:06 59s
Add diffusive thermal conductivity model proposed by Agne et al. (#3546) Deploy Jekyll with GitHub Pages dependencies preinstalled #125: Commit 746e173 pushed by janosh
January 10, 2024 17:34 1m 13s master
master
January 10, 2024 17:34 1m 13s
Phonon convenience imports (#3544) Deploy Jekyll with GitHub Pages dependencies preinstalled #124: Commit 9751f96 pushed by janosh
January 10, 2024 10:42 1m 15s master
master
January 10, 2024 10:42 1m 15s
restore BoltzTraP2 optional dep pinned to >=24.1.1 Deploy Jekyll with GitHub Pages dependencies preinstalled #123: Commit d7c651a pushed by janosh
January 10, 2024 10:35 1m 8s master
master
January 10, 2024 10:35 1m 8s
restore BoltzTraP2 optional dep pinned to >=24.1.1 Deploy Jekyll with GitHub Pages dependencies preinstalled #122: Commit 5871ee4 pushed by janosh
January 10, 2024 10:18 1m 10s master
master
January 10, 2024 10:18 1m 10s
Phonon convenience imports (#3544) Deploy Jekyll with GitHub Pages dependencies preinstalled #121: Commit 9751f96 pushed by janosh
January 9, 2024 07:51 1m 6s master
master
January 9, 2024 07:51 1m 6s
collect OS + version repro_template.ipynb, fix link to open new issue… Deploy Jekyll with GitHub Pages dependencies preinstalled #120: Commit ba655df pushed by janosh
January 9, 2024 06:57 1m 5s master
master
January 9, 2024 06:57 1m 5s
Fix MaterialsProjectCompatibility run type handling for GGA+U (#3540) Deploy Jekyll with GitHub Pages dependencies preinstalled #119: Commit 4b2171c pushed by janosh
January 8, 2024 16:06 1m 10s master
master
January 8, 2024 16:06 1m 10s
Enforce zval to be an integer to avoid improper syntax in .cri file … Deploy Jekyll with GitHub Pages dependencies preinstalled #118: Commit db45f4b pushed by janosh
January 8, 2024 10:10 1m 0s master
master
January 8, 2024 10:10 1m 0s
Add codespace container for reproducing issues (#3537) Deploy Jekyll with GitHub Pages dependencies preinstalled #117: Commit e6e818d pushed by janosh
January 8, 2024 08:55 1m 7s master
master
January 8, 2024 08:55 1m 7s
Fix failing CI due to broken BoltzTraP2 install (#3543) Deploy Jekyll with GitHub Pages dependencies preinstalled #116: Commit 645a0b6 pushed by janosh
January 6, 2024 13:34 1m 3s master
master
January 6, 2024 13:34 1m 3s
Fix bug in SQSTransformation (#3541) Deploy Jekyll with GitHub Pages dependencies preinstalled #115: Commit 62b6bbb pushed by janosh
January 5, 2024 19:33 59s master
master
January 5, 2024 19:33 59s
Add PhononDos.r2_score method (#3535) Deploy Jekyll with GitHub Pages dependencies preinstalled #114: Commit 8aa1cf8 pushed by janosh
December 29, 2023 09:45 1m 2s master
master
December 29, 2023 09:45 1m 2s
Add functionality to read ASE *.traj file in Trajectory class method … Deploy Jekyll with GitHub Pages dependencies preinstalled #113: Commit c67739a pushed by janosh
December 23, 2023 01:02 1m 4s master
master
December 23, 2023 01:02 1m 4s
bmp ruff hook to v0.1.9 Deploy Jekyll with GitHub Pages dependencies preinstalled #112: Commit ed6da26 pushed by janosh
December 22, 2023 00:01 1m 18s master
master
December 22, 2023 00:01 1m 18s
Add default issue template labels (#3531) Deploy Jekyll with GitHub Pages dependencies preinstalled #111: Commit b2c1b54 pushed by janosh
December 21, 2023 02:15 1m 44s master
master
December 21, 2023 02:15 1m 44s
Improve PhononBandStructure.has_imaginary_gamma_freq() by checking … Deploy Jekyll with GitHub Pages dependencies preinstalled #110: Commit 0d6d341 pushed by janosh
December 20, 2023 20:17 1m 6s master
master
December 20, 2023 20:17 1m 6s
Bug fix: SpectrumPlotter.add_spectra (#3529) Deploy Jekyll with GitHub Pages dependencies preinstalled #109: Commit f762851 pushed by janosh
December 20, 2023 17:43 1m 13s master
master
December 20, 2023 17:43 1m 13s
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