#267
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Ran 10 Dec 2022 10:14PM UTC

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Files 24

Run time 1s

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Build # #267

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push

coveralls-python

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web-flow

Commit Message

Added missing basis premultiplier to B^{-1} matrix (#99)

According to the cited work

> Felix Faber, Alexander Lindmaa, O. Anatole von Lilienfeld, and Rickard Armiento. Crystal structure representations for machine learning models of formation energies. International Journal of Quantum Chemistry, 115(16):1094–1101, 8 2015. doi:10.1002/qua.24917.

(page 1098, eqn. 24)

the matrix should be multiplied by the basis vector to form a row vector, so you get a real number in the sine argument.

Run Details

2389 of 2576 relevant lines covered (92.74%)

0.93 hits per line

Uncovered Existing Lines

Lines	Coverage	File
2	96.88	/opt/hostedtoolcache/Python/3.7.15/x64/lib/python3.7/site-packages/dscribe/descriptors/ewaldsummatrix.py
12	92.11	/opt/hostedtoolcache/Python/3.7.15/x64/lib/python3.7/site-packages/dscribe/descriptors/acsf.py
13	88.18	/opt/hostedtoolcache/Python/3.7.15/x64/lib/python3.7/site-packages/dscribe/descriptors/coulombmatrix.py
20	95.04	/opt/hostedtoolcache/Python/3.7.15/x64/lib/python3.7/site-packages/dscribe/descriptors/mbtr.py
27	94.62	/opt/hostedtoolcache/Python/3.7.15/x64/lib/python3.7/site-packages/dscribe/descriptors/soap.py
33	75.52	/opt/hostedtoolcache/Python/3.7.15/x64/lib/python3.7/site-packages/dscribe/descriptors/descriptor.py

Jobs

ID	Job ID	Ran	Files	Coverage
1	#267.1	10 Dec 2022 10:14PM UTC	24	92.74

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