globus-labs / faster-molecular-hessians / 7119656703
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coverage: 97.173% (-0.02%) from 97.194%
7119656703

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github

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Add a dynamic workflow (#30)

* Add the workflow function

* Add missing fixture

* Add a workflow for exact computations

* Compute the Hessian with numerical diff

* Use that the matrix is symmetric

* Add a CLI

170 of 175 new or added lines in 4 files covered. (97.14%)

550 of 566 relevant lines covered (97.17%)

0.97 hits per line

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ID Job ID Ran Files Coverage
1 7119656703.1 0
97.17
Source Files on build 7119656703
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