Python OneParticleOperator

adc-connect / adcc

adcc: Seamlessly connect your program to ADC

https://adc-connect.org

GNU General Public License v3.0

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Python OneParticleOperator #119

Closed maxscheurer closed 3 years ago

maxscheurer commented 3 years ago

[x] working py-side implementation
[x] docstrings
[x] more tests of py-side functions
[x] cleanup

lgtm-com[bot] commented 3 years ago

This pull request introduces 4 alerts when merging fee393e22b2340d04a5923982005f42acab63fab into f0d0979f69c022ae47b19e61dad07a9f813409dd - view on LGTM.com

new alerts:

4 for Unused local variable

maxscheurer commented 3 years ago

~~Nice, this is the test suite nightmare - transition properties are wrong, but the tests of the low-level functions (product_trace or some other stuff) don't hit any failure 😡~~ resolved.

lgtm-com[bot] commented 3 years ago

This pull request introduces 4 alerts when merging b3aefe8b0f8539872d33548776790a4b8c9cc144 into f0d0979f69c022ae47b19e61dad07a9f813409dd - view on LGTM.com

new alerts:

4 for Unused local variable

lgtm-com[bot] commented 3 years ago

This pull request introduces 4 alerts when merging 9f5139c395eb8770db461945641baf3633d90185 into f0d0979f69c022ae47b19e61dad07a9f813409dd - view on LGTM.com

new alerts:

4 for Unused local variable

maxscheurer commented 3 years ago

The PR can be squash-merged after approval.

I've changed the structure of the CVS ground state density intermediates a little bit. From a performance point of view, this should be no problem because the density is cached and if one block is required, all blocks are required, sooner or later...