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dfpt.vzsisa: Use bo_ prefix for Born-Oppenheimer quantities
Run the Abipy test suite. #132: Commit 765075f pushed by gmatteo
December 27, 2024 12:07 20m 7s develop
December 27, 2024 12:07 20m 7s
Init ecut in AbinitInput.__init__ if hints are available
Run the Abipy test suite. #131: Commit 54edcc0 pushed by gmatteo
December 24, 2024 15:29 22m 51s develop
December 24, 2024 15:29 22m 51s
Fix typos
Run the Abipy test suite. #130: Commit a2e5545 pushed by gmatteo
December 23, 2024 16:38 21m 14s develop
December 23, 2024 16:38 21m 14s
qha_2d: use previous solution as initial guess in find_minimum
Run the Abipy test suite. #129: Commit 7e6a2bb pushed by gmatteo
December 23, 2024 15:32 20m 13s develop
December 23, 2024 15:32 20m 13s
Code cleanup
Run the Abipy test suite. #128: Commit abd83d5 pushed by gmatteo
December 23, 2024 14:29 2m 41s develop
December 23, 2024 14:29 2m 41s
Add run_qha_2d.py example
Run the Abipy test suite. #127: Commit 36fe56a pushed by gmatteo
December 22, 2024 18:04 20m 22s develop
December 22, 2024 18:04 20m 22s
Unit of loading Potentialfield (#307)
Run the Abipy test suite. #126: Commit 8782929 pushed by gmatteo
December 22, 2024 17:04 20m 4s develop
December 22, 2024 17:04 20m 4s
Unit of loading Potentialfield
Run the Abipy test suite. #125: Pull request #307 synchronize by TeetotalingTom
December 22, 2024 15:54 20m 3s TeetotalingTom:develop
December 22, 2024 15:54 20m 3s
Unit of loading Potentialfield
Run the Abipy test suite. #124: Pull request #307 opened by TeetotalingTom
December 22, 2024 14:34 21m 10s TeetotalingTom:develop
December 22, 2024 14:34 21m 10s
Change generate_deformations to return strain_inds and space group nu…
Run the Abipy test suite. #123: Commit 1eaf333 pushed by gmatteo
December 21, 2024 15:10 20m 36s develop
December 21, 2024 15:10 20m 36s
dos --> phdos
Run the Abipy test suite. #122: Commit cf13770 pushed by gmatteo
December 21, 2024 11:59 19m 38s develop
December 21, 2024 11:59 19m 38s
Fix examples
Run the Abipy test suite. #121: Commit a09912f pushed by gmatteo
December 19, 2024 16:46 21m 11s develop
December 19, 2024 16:46 21m 11s
abort on example error in gallery
Run the Abipy test suite. #120: Commit 9735a3d pushed by gmatteo
December 19, 2024 16:28 2m 10s develop
December 19, 2024 16:28 2m 10s
Use same settings as Samare
Run the Abipy test suite. #119: Commit 7f1f607 pushed by gmatteo
December 19, 2024 16:20 2m 9s develop
December 19, 2024 16:20 2m 9s
qha_aproximation.py --> vzsisa.py
Run the Abipy test suite. #118: Commit b46b593 pushed by gmatteo
December 19, 2024 15:51 2m 12s develop
December 19, 2024 15:51 2m 12s
Add structure.as_ngkpt method
Run the Abipy test suite. #117: Commit d782893 pushed by gmatteo
December 19, 2024 12:07 22m 53s develop
December 19, 2024 12:07 22m 53s
Add run_qha_vzsisa.py flow script
Run the Abipy test suite. #116: Commit 20e6c5d pushed by gmatteo
December 18, 2024 15:51 2m 41s develop
December 18, 2024 15:51 2m 41s
Fix syntax warnings
Run the Abipy test suite. #115: Commit b7f3afd pushed by gmatteo
December 15, 2024 15:51 22m 45s develop
December 15, 2024 15:51 22m 45s
Don't invoke open in Makefile
Run the Abipy test suite. #114: Commit 22c246c pushed by gmatteo
December 15, 2024 14:49 22m 45s develop
December 15, 2024 14:49 22m 45s
Code cleanup
Run the Abipy test suite. #113: Commit 5d17288 pushed by gmatteo
December 15, 2024 14:18 22m 39s develop
December 15, 2024 14:18 22m 39s
Move classmethods before __init__ to improve readability
Run the Abipy test suite. #112: Commit 861c9b8 pushed by gmatteo
December 15, 2024 10:50 22m 36s develop
December 15, 2024 10:50 22m 36s
Code cleanup in qha_aproximation.py
Run the Abipy test suite. #111: Commit 2c53c9a pushed by gmatteo
December 14, 2024 23:26 22m 42s develop
December 14, 2024 23:26 22m 42s
Try phonopy<=2.31.2
Run the Abipy test suite. #110: Commit 916dfbb pushed by gmatteo
December 14, 2024 16:58 22m 21s develop
December 14, 2024 16:58 22m 21s
Require phonopy<=2.32.0
Run the Abipy test suite. #109: Commit e25f9fa pushed by gmatteo
December 14, 2024 16:15 22m 44s develop
December 14, 2024 16:15 22m 44s
Pin monty version to v2024.10.21
Run the Abipy test suite. #108: Commit b3fdf60 pushed by gmatteo
December 14, 2024 15:15 19m 59s develop
December 14, 2024 15:15 19m 59s