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5 months ago 089a8c2 padix-key:performance

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Use new PyO3 API to improve performance
#18
padix-key:performance
5 months ago

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Suggested base runs:

Benchmarks

test_get_coord
benchmarks/test_get.py::test_get_coord
579.2 µs
test_read
benchmarks/test_get.py::test_read
1.7 ms
test_get_remark
benchmarks/test_get.py::test_get_remark
175.1 µs
test_get_structure
benchmarks/test_get.py::test_get_structure
3.9 ms
test_set_structure
benchmarks/test_set.py::test_set_structure
7.5 ms
test_get_structure_with_bonds
benchmarks/test_get.py::test_get_structure_with_bonds
63.6 ms
test_set_structure_with_bonds
benchmarks/test_set.py::test_set_structure_with_bonds
8.4 ms
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