Code

Added geometry module#59

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SiebeLeDe merged 13 commits intomainTheoChem-VU/TCutility:mainfrom 58-add-geometry-moduleTheoChem-VU/TCutility:58-add-geometry-moduleCopy head branch name to clipboardNov 9, 2023

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Commits

Commits on Nov 7, 2023

• Added some useful geometry functions

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  bf93f6e

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• Added generation of random points on a sphere and in an anular sphere

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  2abf334

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• Fixed indentation issues

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  dbc8fae

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• Fixed typehints, we should investigate how to add more specific typehints

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  1a7bbbe

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• Started adding some test cases for geometry

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  38f10c5

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• Now casting array to 2d

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  2096beb

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• Raising error now when a@b is -1, since then a rotation matrix cannot be found

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  90143d2

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• Fixed typo in geometry module

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Commits on Nov 8, 2023

• Removed unnecessary import

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  b9fe119

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• Merge pull request #60 from TheoChem-VU/main

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Commits on Nov 9, 2023

• Renamed rotation_matrix to rotmat for simplicity and consistency. Also fixed the special case when computing the vector alignment rotation matrix when a == -b

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  8ae8257

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• Added new test cases and fixed spelling issues

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  bb9db4b

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• Merge remote-tracking branch 'origin/58-add-geometry-module' into 58-add-geometry-module

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