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Update janus_core/calculations/single_point.py ci #131: Commit f221b9a pushed by alinelena
June 5, 2024 10:48 8m 59s atoms_info
atoms_info
June 5, 2024 10:48 8m 59s
Update janus_core/calculations/single_point.py ci #130: Commit 3a5d6c4 pushed by alinelena
June 5, 2024 10:48 8m 54s atoms_info
atoms_info
June 5, 2024 10:48 8m 54s
Update janus_core/calculations/single_point.py ci #129: Commit f127bf1 pushed by alinelena
June 5, 2024 10:47 8m 49s atoms_info
atoms_info
June 5, 2024 10:47 8m 49s
name ML properties in the results file by architecture, energy become… ci #128: Commit 0d75c65 pushed by alinelena
June 5, 2024 07:30 8m 50s atoms_info
atoms_info
June 5, 2024 07:30 8m 50s
name ML properties in the results file by architecture, energy become… ci #127: Commit 92233c2 pushed by alinelena
June 5, 2024 06:06 6m 40s atoms_info
atoms_info
June 5, 2024 06:06 6m 40s
name ML properties in the results file by architecture, energy become… ci #126: Commit 6a09fcf pushed by alinelena
June 5, 2024 05:43 6m 34s atoms_info
atoms_info
June 5, 2024 05:43 6m 34s
name ML properties in the results file by architecture, energy become… ci #125: Commit ab150fe pushed by alinelena
June 5, 2024 05:36 6m 31s atoms_info
atoms_info
June 5, 2024 05:36 6m 31s
name ML properties in the results file by architecture, energy become… ci #124: Commit 02f9a01 pushed by alinelena
June 5, 2024 04:17 6m 29s atoms_info
atoms_info
June 5, 2024 04:17 6m 29s
name ML properties in the results file by architecture, energy become… ci #123: Commit 404fffe pushed by alinelena
May 31, 2024 15:39 6m 13s atoms_info
atoms_info
May 31, 2024 15:39 6m 13s
name ML properties in the results file by architecture, energy become… ci #122: Commit a9128e5 pushed by alinelena
May 31, 2024 15:11 8m 45s atoms_info
atoms_info
May 31, 2024 15:11 8m 45s
name ML properties in the results file by architecture, energy become… ci #121: Commit 1ff45e2 pushed by alinelena
May 31, 2024 13:55 6m 14s atoms_info
atoms_info
May 31, 2024 13:55 6m 14s
bump version for release 0.5.0b0 ci #120: Commit ee0d76d pushed by alinelena
May 31, 2024 13:18 9m 38s main
main
May 31, 2024 13:18 9m 38s
bump version for release 0.5.0b0 docs #13: Commit ee0d76d pushed by alinelena
May 31, 2024 13:18 3s main
main
May 31, 2024 13:18 3s
Update janus_core/calculations/geom_opt.py ci #119: Commit 67e46c2 pushed by alinelena
May 30, 2024 13:57 5m 58s optimizer
optimizer
May 30, 2024 13:57 5m 58s
separate optimizer from the optimize to be able to use geom opt in zn… ci #118: Commit 5ef6ea0 pushed by alinelena
May 29, 2024 19:48 5m 50s optimizer
optimizer
May 29, 2024 19:48 5m 50s
separate optimizer from the optimize to be able to use geom opt in zn… ci #117: Commit 5872607 pushed by alinelena
May 29, 2024 19:25 5m 12s optimizer
optimizer
May 29, 2024 19:25 5m 12s
separate optimizer from the optimize to be able to use geom opt in zn… ci #116: Commit 23620d7 pushed by alinelena
May 29, 2024 19:17 6m 30s optimizer
optimizer
May 29, 2024 19:17 6m 30s
separate optimizer from the optimize to be able to use geom opt in zn… ci #115: Commit 5cda34b pushed by alinelena
May 29, 2024 16:08 5m 17s optimizer
optimizer
May 29, 2024 16:08 5m 17s
separate optimizer from the optimize to be able to use geom opt in zn… ci #114: Commit 4fd03fa pushed by alinelena
May 29, 2024 15:59 3m 41s optimizer
optimizer
May 29, 2024 15:59 3m 41s
update readme with the new names, fixes #157 ci #113: Commit 38e3e28 pushed by alinelena
May 28, 2024 18:40 6m 0s bug_157
bug_157
May 28, 2024 18:40 6m 0s
add option to write eigenvectors and extra info in bands, useful for … docs #12: Commit 98d873b pushed by alinelena
May 28, 2024 18:08 3s main
main
May 28, 2024 18:08 3s
add option to write eigenvectors and extra info in bands, useful for … ci #112: Commit 98d873b pushed by alinelena
May 28, 2024 18:08 6m 8s main
main
May 28, 2024 18:08 6m 8s
add spacegroup determination to geometry optimisation (#153) docs #11: Commit 404e6c5 pushed by alinelena
May 28, 2024 14:48 3s main
main
May 28, 2024 14:48 3s
add spacegroup determination to geometry optimisation (#153) ci #111: Commit 404e6c5 pushed by alinelena
May 28, 2024 14:48 4m 1s main
main
May 28, 2024 14:48 4m 1s
Update janus_core/cli/phonons.py ci #110: Commit a54d265 pushed by alinelena
May 28, 2024 14:03 6m 34s phonons_enh
phonons_enh
May 28, 2024 14:03 6m 34s