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unit tests

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adding energy min example with optax
unit tests #128: Commit c1e03ba pushed by hatemhelal
April 24, 2024 15:57 5m 57s main
April 24, 2024 15:57 5m 57s
update toc to add quirks
unit tests #127: Commit bf3df3c pushed by hatemhelal
April 24, 2024 09:37 5m 42s main
April 24, 2024 09:37 5m 42s
add minimise doc
unit tests #126: Commit cc51830 pushed by hatemhelal
April 23, 2024 16:12 5m 44s main
April 23, 2024 16:12 5m 44s
add orthonormalise method to hamiltonian (fix jit failure)
unit tests #125: Commit a2a0fae pushed by hatemhelal
April 22, 2024 19:48 5m 41s main
April 22, 2024 19:48 5m 41s
moving around orthonormal transform
unit tests #124: Commit 094493f pushed by hatemhelal
April 22, 2024 19:31 4m 43s main
April 22, 2024 19:31 4m 43s
further type annotations
unit tests #123: Commit 7884d9d pushed by hatemhelal
April 22, 2024 15:34 5m 46s main
April 22, 2024 15:34 5m 46s
adding molecule docstring
unit tests #122: Commit 5b646af pushed by hatemhelal
April 19, 2024 14:39 5m 44s main
April 19, 2024 14:39 5m 44s
adding density_matrix doc string
unit tests #121: Commit 02a1801 pushed by hatemhelal
April 18, 2024 20:18 5m 41s main
April 18, 2024 20:18 5m 41s
separate E_core
unit tests #120: Commit bcd6ff6 pushed by hatemhelal
April 17, 2024 20:02 5m 46s main
April 17, 2024 20:02 5m 46s
pre-commit autoupdate and set default python to 3.10
unit tests #119: Commit 6fdf198 pushed by hatemhelal
April 17, 2024 19:43 5m 39s main
April 17, 2024 19:43 5m 39s
adding launch buttons
unit tests #118: Commit de3d853 pushed by hatemhelal
April 16, 2024 13:53 5m 40s main
April 16, 2024 13:53 5m 40s
Initial Release of MESS
unit tests #117: Commit 0e8daf3 pushed by hatemhelal
April 16, 2024 13:18 5m 35s main
April 16, 2024 13:18 5m 35s