5434258503
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Ran 02 Jul 2023 02:54AM UTC

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Files 173

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Build # 5434258503

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push

github

Committed by

web-flow

Commit Message

Multi-Tensor splitting and stacking utilities (#1213)

* fix: pass validation flag along in ElectronicIntegrals.from_raw_integrals

* feat: implement .stack and .split utilities to integrals containers

This adds special utility methods for array stacking and splitting to
the `PolynomialTensor` and `ElectronicIntegrals` classes.
The reason that these cannot be handled by the `.apply` utility is
because these methods have differing numbers of input and output
arguments.

* Document and test the new PolynomialTensor methods

* Document the new ElectronicIntegrals methods

* Add reno

* Linting

* Fix spelling

* Fix spelling

* Fix some faulty docstrings

* tests: add test methods for ElectronicIntegrals stack/split

* docs: warn about disabling integrals validation

* docs: refer to commonly used splitting and stacking methods

* Remove unused variable

* Fix copyright

* docs: make numpy method references clickable via intersphinx

* docs: add notes regarding shape validation

* docs: fix numpy intersphinx links

* docs: one more try at fixing the intersphinx numpy links

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ID	Job ID	Ran	Files	Coverage
1	5434258503.1	02 Jul 2023 02:54AM UTC	0	87.47

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