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b5cbeecb

Commit b5cbeecb authored 1 year ago by Michele Nottoli

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Merge branch 'options' into 'main'

Options

See merge request !4

parents 55c3f32b 0a72fd08

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gext/descriptors.py 24 additions, 7 deletions

gext/descriptors.py
gext/fitting.py 66 additions, 16 deletions

gext/fitting.py
gext/main.py 73 additions, 27 deletions

gext/main.py
tests/test_descriptor_fitting.py 7 additions, 5 deletions

tests/test_descriptor_fitting.py
tests/test_extrapolation.py 33 additions, 1 deletion

tests/test_extrapolation.py
tests/test_grassmann.py 1 addition, 1 deletion

tests/test_grassmann.py

with 204 additions and 57 deletions

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