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Dataset.get_differences now uses assert_almost_equal for variables th…
Deploy documentation with GitHub Pages dependencies preinstalled #124: Commit dc6d097 pushed by gmatteo
January 17, 2025 18:03 9m 23s develop
January 17, 2025 18:03 9m 23s
Add plot examples for gpath
Deploy documentation with GitHub Pages dependencies preinstalled #123: Commit 7b99eb1 pushed by gmatteo
January 17, 2025 11:06 8m 37s develop
January 17, 2025 11:06 8m 37s
Use FrechetCellFilter
Deploy documentation with GitHub Pages dependencies preinstalled #122: Commit 0f33cc9 pushed by gmatteo
January 13, 2025 11:14 8m 58s develop
January 13, 2025 11:14 8m 58s
Increaes decimal
Deploy documentation with GitHub Pages dependencies preinstalled #121: Commit 6f564e0 pushed by gmatteo
January 12, 2025 14:14 8m 22s develop
January 12, 2025 14:14 8m 22s
Add seekpath to requirements
Deploy documentation with GitHub Pages dependencies preinstalled #120: Commit bd5a5cf pushed by gmatteo
January 12, 2025 13:34 8m 25s develop
January 12, 2025 13:34 8m 25s
Fix typos
Deploy documentation with GitHub Pages dependencies preinstalled #119: Commit 3b4d48b pushed by gmatteo
January 12, 2025 10:54 8m 27s develop
January 12, 2025 10:54 8m 27s
Try to remove pymatgen/monty pins
Deploy documentation with GitHub Pages dependencies preinstalled #118: Commit 96ffcff pushed by gmatteo
January 11, 2025 22:58 2m 54s develop
January 11, 2025 22:58 2m 54s
Add tests for ml modules
Deploy documentation with GitHub Pages dependencies preinstalled #117: Commit 234ef4c pushed by gmatteo
January 11, 2025 16:50 2m 19s develop
January 11, 2025 16:50 2m 19s
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
December 15, 2024 14:49 8m 36s