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SINGROUP / dscribe / #259
91%

Build:
DEFAULT BRANCH: master
Ran 01 Aug 2022 07:02PM UTC
Jobs 1
Files 24
Run time 2s
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V1.2.2 (#92)

* Trying out CI build for python 3.10.

* Trying out installation without pytorch dev dependency.

* Fixed linting.

* Updated version number.

* Fixed permutation issues and changed sorting algorithm when sorting Coulomb matrix.

* Added identical stable sorting for Ewald and Sine matrices as is used in Coulomb matrix, fixed tests.

* Fixed linting.

* Fixing test issue.

* Updated sphinx config to support newer sphinx version and the rtd theme.

* Fixed issue in testing the examples.

* Documentation update.

* Renamed rcut->r_cut, nmax->n_max, lmax->l_max to keep parameter naming more consistent. The old names still work as well.

* Fixed linting.

* Fixed variable naming in EwaldSumMatrix.

* Updated changelog.

* Fixed test accuracy issue.

* Fixed test accuracy issue.

2389 of 2576 relevant lines covered (92.74%)

0.93 hits per line

Jobs
ID Job ID Ran Files Coverage
1 #259.1 01 Aug 2022 07:02PM UTC 0
92.74
Source Files on build #259
Detailed source file information is not available for this build.
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