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add spacegroup determination to geometry optimisation ci #86: Commit e2f6b5e pushed by alinelena
May 24, 2024 13:22 4m 9s sg
sg
May 24, 2024 13:22 4m 9s
Update janus_core/calculations/geom_opt.py ci #85: Commit 331f569 pushed by alinelena
May 24, 2024 13:12 2m 35s sg
sg
May 24, 2024 13:12 2m 35s
add spacegroup determination to geometry optimisation ci #84: Commit e1a488b pushed by alinelena
May 24, 2024 12:02 3m 41s sg
sg
May 24, 2024 12:02 3m 41s
f ci #83: Commit d7d71f4 pushed by alinelena
May 24, 2024 11:43 3m 13s sg
sg
May 24, 2024 11:43 3m 13s
add spacegroup determination to geometry optimisation ci #82: Commit a81ad7b pushed by alinelena
May 24, 2024 08:16 4m 31s sg
sg
May 24, 2024 08:16 4m 31s
f ci #81: Commit 216799b pushed by alinelena
May 24, 2024 08:06 15m 24s sg
sg
May 24, 2024 08:06 15m 24s
add spacegroup determination to geometry optimisation ci #80: Commit eea47e7 pushed by alinelena
May 24, 2024 06:37 29s sg
sg
May 24, 2024 06:37 29s
add spacegroup determination to geometry optimisation ci #79: Commit 97f4537 pushed by alinelena
May 24, 2024 06:10 2m 33s sg
sg
May 24, 2024 06:10 2m 33s
Add equation of state (#146) ci #78: Commit f12a5c7 pushed by alinelena
May 23, 2024 17:31 3m 13s main
main
May 23, 2024 17:31 3m 13s
Add equation of state (#146) docs #8: Commit f12a5c7 pushed by alinelena
May 23, 2024 17:31 3s main
main
May 23, 2024 17:31 3s
Update janus_core/calculations/md.py ci #77: Commit 0ea2a99 pushed by alinelena
May 10, 2024 16:46 5m 36s fix_heat
fix_heat
May 10, 2024 16:46 5m 36s
Modify test for 0K heating ci #76: Commit d49d363 pushed by ElliottKasoar
May 10, 2024 16:45 3m 14s fix_heat
fix_heat
May 10, 2024 16:45 3m 14s
fix heating ci #75: Commit 09a5328 pushed by alinelena
May 10, 2024 13:59 3m 10s fix_heat
fix_heat
May 10, 2024 13:59 3m 10s
fix heating ci #74: Commit 8779be2 pushed by alinelena
May 10, 2024 05:23 3m 18s fix_heat
fix_heat
May 10, 2024 05:23 3m 18s
prnt pfator in log, fixes #130 ci #73: Commit 4f6e364 pushed by alinelena
May 10, 2024 05:07 3m 55s fix_pfactor
fix_pfactor
May 10, 2024 05:07 3m 55s
Update janus_core/calculations/md.py ci #72: Commit 0d826fc pushed by alinelena
May 7, 2024 15:49 2m 39s fix_heat
fix_heat
May 7, 2024 15:49 2m 39s
prnt pfator in log, fixes #130 ci #71: Commit 8661aac pushed by alinelena
May 7, 2024 11:01 2m 45s fix_pfactor
fix_pfactor
May 7, 2024 11:01 2m 45s
prnt pfator in log, fixes #130 ci #70: Commit 91ed526 pushed by alinelena
May 7, 2024 10:39 2m 52s fix_pfactor
fix_pfactor
May 7, 2024 10:39 2m 52s
fix heating ci #69: Commit 5f77be0 pushed by alinelena
May 4, 2024 10:16 3m 17s combine
combine
May 4, 2024 10:16 3m 17s
make file names consistent with respect to using the file_prefix fixe… ci #68: Commit c9eb0cd pushed by alinelena
May 4, 2024 10:07 3m 9s fix_prefix
fix_prefix
May 4, 2024 10:07 3m 9s
bump version for release 0.3.0b1 ci #67: Commit 41bf1f4 pushed by alinelena
May 4, 2024 10:04 3m 36s main
main
May 4, 2024 10:04 3m 36s
bump version for release 0.3.0b1 docs #7: Commit 41bf1f4 pushed by alinelena
May 4, 2024 10:04 2s main
main
May 4, 2024 10:04 2s
make file names consistent with respect to using the file_prefix fixe… ci #66: Commit 7a99929 pushed by alinelena
May 4, 2024 10:00 3m 3s fix_prefix
fix_prefix
May 4, 2024 10:00 3m 3s
make file names consistent with respect to using the file_prefix fixe… ci #65: Commit 119f1d6 pushed by alinelena
May 4, 2024 09:27 2m 59s fix_prefix
fix_prefix
May 4, 2024 09:27 2m 59s
prnt pfator in log, fixes #130 ci #64: Commit 5e9350f pushed by alinelena
May 4, 2024 09:14 3m 22s fix_pfactor
fix_pfactor
May 4, 2024 09:14 3m 22s