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dfpt.vzsisa: Use bo_ prefix for Born-Oppenheimer quantities Deploy documentation with GitHub Pages dependencies preinstalled #116: Commit 765075f pushed by gmatteo
December 27, 2024 12:07 3m 0s develop
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December 27, 2024 12:07 3m 0s
Init ecut in AbinitInput.__init__ if hints are available Deploy documentation with GitHub Pages dependencies preinstalled #115: Commit 54edcc0 pushed by gmatteo
December 24, 2024 15:29 8m 22s develop
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December 24, 2024 15:29 8m 22s
Fix typos Deploy documentation with GitHub Pages dependencies preinstalled #114: Commit a2e5545 pushed by gmatteo
December 23, 2024 16:38 8m 46s develop
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December 23, 2024 16:38 8m 46s
qha_2d: use previous solution as initial guess in find_minimum Deploy documentation with GitHub Pages dependencies preinstalled #113: Commit 7e6a2bb pushed by gmatteo
December 23, 2024 15:32 3m 5s develop
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December 23, 2024 15:32 3m 5s
Code cleanup Deploy documentation with GitHub Pages dependencies preinstalled #112: Commit abd83d5 pushed by gmatteo
December 23, 2024 14:29 3m 12s develop
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December 23, 2024 14:29 3m 12s
Add run_qha_2d.py example Deploy documentation with GitHub Pages dependencies preinstalled #111: Commit 36fe56a pushed by gmatteo
December 22, 2024 18:04 5m 36s develop
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December 22, 2024 18:04 5m 36s
Unit of loading Potentialfield (#307) Deploy documentation with GitHub Pages dependencies preinstalled #110: Commit 8782929 pushed by gmatteo
December 22, 2024 17:04 8m 30s develop
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December 22, 2024 17:04 8m 30s
Change generate_deformations to return strain_inds and space group nu… Deploy documentation with GitHub Pages dependencies preinstalled #109: Commit 1eaf333 pushed by gmatteo
December 21, 2024 15:10 8m 25s develop
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December 21, 2024 15:10 8m 25s
dos --> phdos Deploy documentation with GitHub Pages dependencies preinstalled #108: Commit cf13770 pushed by gmatteo
December 21, 2024 11:59 3m 3s develop
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December 21, 2024 11:59 3m 3s
Fix examples Deploy documentation with GitHub Pages dependencies preinstalled #107: Commit a09912f pushed by gmatteo
December 19, 2024 16:46 8m 51s develop
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December 19, 2024 16:46 8m 51s
abort on example error in gallery Deploy documentation with GitHub Pages dependencies preinstalled #106: Commit 9735a3d pushed by gmatteo
December 19, 2024 16:28 6m 48s develop
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December 19, 2024 16:28 6m 48s
Use same settings as Samare Deploy documentation with GitHub Pages dependencies preinstalled #105: Commit 7f1f607 pushed by gmatteo
December 19, 2024 16:20 9m 6s develop
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December 19, 2024 16:20 9m 6s
qha_aproximation.py --> vzsisa.py Deploy documentation with GitHub Pages dependencies preinstalled #104: Commit b46b593 pushed by gmatteo
December 19, 2024 15:51 8m 3s develop
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December 19, 2024 15:51 8m 3s
Add structure.as_ngkpt method Deploy documentation with GitHub Pages dependencies preinstalled #103: Commit d782893 pushed by gmatteo
December 19, 2024 12:07 8m 10s develop
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December 19, 2024 12:07 8m 10s
Add run_qha_vzsisa.py flow script Deploy documentation with GitHub Pages dependencies preinstalled #102: Commit 20e6c5d pushed by gmatteo
December 18, 2024 15:51 9m 33s develop
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December 18, 2024 15:51 9m 33s
Fix syntax warnings Deploy documentation with GitHub Pages dependencies preinstalled #101: Commit b7f3afd pushed by gmatteo
December 15, 2024 15:51 8m 21s develop
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December 15, 2024 15:51 8m 21s
Don't invoke open in Makefile Deploy documentation with GitHub Pages dependencies preinstalled #100: Commit 22c246c pushed by gmatteo
December 15, 2024 14:49 8m 36s develop
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December 15, 2024 14:49 8m 36s
Code cleanup Deploy documentation with GitHub Pages dependencies preinstalled #99: Commit 5d17288 pushed by gmatteo
December 15, 2024 14:18 8m 3s develop
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December 15, 2024 14:18 8m 3s
Move classmethods before __init__ to improve readability Deploy documentation with GitHub Pages dependencies preinstalled #98: Commit 861c9b8 pushed by gmatteo
December 15, 2024 10:50 8m 18s develop
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December 15, 2024 10:50 8m 18s
Code cleanup in qha_aproximation.py Deploy documentation with GitHub Pages dependencies preinstalled #97: Commit 2c53c9a pushed by gmatteo
December 14, 2024 23:26 8m 24s develop
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December 14, 2024 23:26 8m 24s
Try phonopy<=2.31.2 Deploy documentation with GitHub Pages dependencies preinstalled #96: Commit 916dfbb pushed by gmatteo
December 14, 2024 16:58 7m 27s develop
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December 14, 2024 16:58 7m 27s
Require phonopy<=2.32.0 Deploy documentation with GitHub Pages dependencies preinstalled #95: Commit e25f9fa pushed by gmatteo
December 14, 2024 16:15 7m 2s develop
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December 14, 2024 16:15 7m 2s
Pin monty version to v2024.10.21 Deploy documentation with GitHub Pages dependencies preinstalled #94: Commit b3fdf60 pushed by gmatteo
December 14, 2024 15:15 6m 58s develop
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December 14, 2024 15:15 6m 58s
pin pymatgen to v2024.10.29 to avoid bug introduced in pseudos Deploy documentation with GitHub Pages dependencies preinstalled #93: Commit e74ccab pushed by gmatteo
December 14, 2024 15:00 6m 57s develop
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December 14, 2024 15:00 6m 57s
Improve coverage of qha_approximation.py Deploy documentation with GitHub Pages dependencies preinstalled #92: Commit 256d219 pushed by gmatteo
December 14, 2024 13:26 2m 20s develop
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December 14, 2024 13:26 2m 20s