Merge pull request #1758 from glotzerlab/dipole_fix

joaander · web-flow · commit abfaac977f30 · 2024-04-08T12:08:31.000-04:00
fix condition when dipole-dipole interactions are calculated
diff --git a/hoomd/md/EvaluatorPairDipole.h b/hoomd/md/EvaluatorPairDipole.h
@@ -233,7 +233,7 @@ class EvaluatorPairDipole
 
         bool dipole_i_interactions = (mu_i != vec3<Scalar>(0, 0, 0));
         bool dipole_j_interactions = (mu_j != vec3<Scalar>(0, 0, 0));
-        bool dipole_interactions = dipole_j_interactions && dipole_j_interactions;
+        bool dipole_interactions = dipole_i_interactions && dipole_j_interactions;
         // dipole-dipole
         if (dipole_interactions)
             {

Original file line number	Diff line number	Diff line change
`@@ -233,7 +233,7 @@ class EvaluatorPairDipole`
`233`	`233`
`234`	`234`	`bool dipole_i_interactions = (mu_i != vec3<Scalar>(0, 0, 0));`
`235`	`235`	`bool dipole_j_interactions = (mu_j != vec3<Scalar>(0, 0, 0));`
`236`		`- bool dipole_interactions = dipole_j_interactions && dipole_j_interactions;`
	`236`	`+ bool dipole_interactions = dipole_i_interactions && dipole_j_interactions;`
`237`	`237`	`// dipole-dipole`
`238`	`238`	`if (dipole_interactions)`
`239`	`239`	`{`