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Central data classes for output Format black #19: Pull request #132 labeled by jan-janssen
December 13, 2023 11:26 19s central_dataclass
central_dataclass
December 13, 2023 11:26 19s
Use Dataclass for ASE and QE Format black #18: Pull request #131 labeled by jan-janssen
December 13, 2023 07:08 20s more_dataclasses
more_dataclasses
December 13, 2023 07:08 20s
With a dataclass Format black #17: Pull request #121 labeled by jan-janssen
December 12, 2023 06:31 18s quantities_from_class
quantities_from_class
December 12, 2023 06:31 18s
Bump spglib from 2.1.0 to 2.2.0 Format black #16: Pull request #126 labeled by dependabot bot
December 11, 2023 21:17 3s dependabot/pip/spglib-2.2.0
dependabot/pip/spglib-2.2.0
December 11, 2023 21:17 3s
Bump pandas from 2.1.3 to 2.1.4 Format black #15: Pull request #125 labeled by dependabot bot
December 11, 2023 21:16 3s dependabot/pip/pandas-2.1.4
dependabot/pip/pandas-2.1.4
December 11, 2023 21:16 3s
Just to trigger the CI for the output modul branch Format black #14: Pull request #124 labeled by jan-janssen
December 11, 2023 20:27 16s output_modul
output_modul
December 11, 2023 20:27 16s
Quasiharmonic Approximation: Use the same size of supercell for both the energy volume curve and the phonon calculation Format black #13: Pull request #119 labeled by jan-janssen
December 11, 2023 17:21 17s qh_same_size
qh_same_size
December 11, 2023 17:21 17s
Calculate phonons from MD Format black #12: Pull request #116 labeled by jan-janssen
December 9, 2023 07:36 17s dynaphopy
dynaphopy
December 9, 2023 07:36 17s
Add classical harmonic oscillator to quasi-harmonic approximation Format black #11: Pull request #111 labeled by jan-janssen
December 7, 2023 17:10 23s classic_quasi_harmonic
classic_quasi_harmonic
December 7, 2023 17:10 23s
Quasiharminic: Add additional parameters for get_thermal_properties() Format black #10: Pull request #109 labeled by jan-janssen
December 7, 2023 06:38 16s qh_thermal
qh_thermal
December 7, 2023 06:38 16s
Quasiharminic: Allow the users to choose the fitting method Format black #9: Pull request #108 labeled by jan-janssen
December 6, 2023 21:06 1m 0s quasiharmonic_fit
quasiharmonic_fit
December 6, 2023 21:06 1m 0s
Bump phonopy from 2.20.0 to 2.21.0 Format black #8: Pull request #105 labeled by dependabot bot
December 4, 2023 21:36 4s dependabot/pip/phonopy-2.21.0
dependabot/pip/phonopy-2.21.0
December 4, 2023 21:36 4s
Add option to calculate stress Format black #7: Pull request #102 labeled by jan-janssen
December 4, 2023 07:21 20s stress
stress
December 4, 2023 07:21 20s
Add quantumespresso interface based on pwtools Format black #6: Pull request #97 labeled by jan-janssen
December 1, 2023 06:24 20s qe
qe
December 1, 2023 06:24 20s
Add quantumespresso interface based on pwtools Format black #5: Pull request #97 labeled by jan-janssen
December 1, 2023 06:00 15s qe
qe
December 1, 2023 06:00 15s
Add quantumespresso interface based on pwtools Format black #4: Pull request #97 labeled by jan-janssen
November 30, 2023 09:24 17s qe
qe
November 30, 2023 09:24 17s
Bump structuretoolkit from 0.0.12 to 0.0.15 Format black #3: Pull request #87 labeled by dependabot bot
November 27, 2023 21:25 5s dependabot/pip/structuretoolkit-0.0.15
dependabot/pip/structuretoolkit-0.0.15
November 27, 2023 21:25 5s
Bump pylammpsmpi from 0.2.6 to 0.2.8 Format black #2: Pull request #86 labeled by dependabot bot
November 27, 2023 21:25 4s dependabot/pip/pylammpsmpi-0.2.8
dependabot/pip/pylammpsmpi-0.2.8
November 27, 2023 21:25 4s
Test pyproject.toml Format black #1: Pull request #79 labeled by jan-janssen
November 24, 2023 16:23 17s pyproject_toml
pyproject_toml
November 24, 2023 16:23 17s