minor bug fix

shiozaki · shiozaki · commit d1ab06e32d75 · 2018-12-05T14:42:28.000-05:00
diff --git a/src/asd/dimer/dimer_scf.cc b/src/asd/dimer/dimer_scf.cc
@@ -313,7 +313,7 @@ void Dimer::set_active(const shared_ptr<const PTree> idata, const bool localize_
   }
 
   nvirt_ = {nexternA - nactA, nexternB - nactB};
-  sref_ = make_shared<Reference>(sgeom_, make_shared<Coeff>(*out_coeff), nclosed, nact, nexternA+nexternB - (nclosed+nact));
+  sref_ = make_shared<Reference>(sgeom_, make_shared<Coeff>(*out_coeff), nclosed, nact, nexternA+nexternB - nact);
 }
 
 

Original file line number	Diff line number	Diff line change
`@@ -313,7 +313,7 @@ void Dimer::set_active(const shared_ptr<const PTree> idata, const bool localize_`
`313`	`313`	`}`
`314`	`314`
`315`	`315`	`nvirt_ = {nexternA - nactA, nexternB - nactB};`
`316`		`- sref_ = make_shared<Reference>(sgeom_, make_shared<Coeff>(*out_coeff), nclosed, nact, nexternA+nexternB - (nclosed+nact));`
	`316`	`+ sref_ = make_shared<Reference>(sgeom_, make_shared<Coeff>(*out_coeff), nclosed, nact, nexternA+nexternB - nact);`
`317`	`317`	`}`
`318`	`318`
`319`	`319`