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fix condition when dipole-dipole interactions are calculated #1758

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merged 1 commit into from
Apr 8, 2024

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Description

Fixes a tiny bug in the dipole pair interactions.

Motivation and context

The bug didn't cause any wrong results but can cause the algorithm to calculate dipole-dipole interaction when unnecessary.

How has this been tested?

Pytests work.

Change log

Fix bug when to calculate dipole-dipole interactions

Checklist:

@SchoeniPhlippsn SchoeniPhlippsn requested review from a team, joaander, tcmoore3 and Charlottez112 and removed request for a team April 3, 2024 14:07
@joaander joaander added the validate Execute long running validation tests on pull requests label Apr 8, 2024
@joaander joaander merged commit abfaac9 into trunk-patch Apr 8, 2024
72 of 73 checks passed
@joaander joaander deleted the dipole_fix branch April 8, 2024 16:08
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3 participants