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Ran 10 Dec 2022 10:14PM UTC

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Committed 10 Dec 2022 10:03PM UTC coverage: 92.741% (+0.7%) from 92.05%

Job # #267.1

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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.

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