oops

shiozaki · shiozaki · commit bfceffea5725 · 2018-12-29T17:08:28.000-05:00
diff --git a/src/ci/fci/fci_rdm.cc b/src/ci/fci/fci_rdm.cc
@@ -138,7 +138,7 @@ FCI::compute_rdm12_last_step(shared_ptr<const Dvec> dbra, shared_ptr<const Dvec>
     auto rdm1t = btas::group(*rdm1,0,2);
     btas::contract(1.0, dketv, {0,1}, *cibra_data, {0}, 0.0, rdm1t, {1});
 
-    auto dbrav = dbra == dket ? dketv : btas::group(*dbra,0,2);
+    auto dbrav = btas::group(*dbra,0,2);
     auto rdm2t = group(group(*rdm2, 2,4), 0,2);
     btas::contract(1.0, dbrav, {1,0}, dketv, {1,2}, 0.0, rdm2t, {0,2});
   }

Original file line number	Diff line number	Diff line change
`@@ -138,7 +138,7 @@ FCI::compute_rdm12_last_step(shared_ptr<const Dvec> dbra, shared_ptr<const Dvec>`
`138`	`138`	`auto rdm1t = btas::group(*rdm1,0,2);`
`139`	`139`	`btas::contract(1.0, dketv, {0,1}, *cibra_data, {0}, 0.0, rdm1t, {1});`
`140`	`140`
`141`		`- auto dbrav = dbra == dket ? dketv : btas::group(*dbra,0,2);`
	`141`	`+ auto dbrav = btas::group(*dbra,0,2);`
`142`	`142`	`auto rdm2t = group(group(*rdm2, 2,4), 0,2);`
`143`	`143`	`btas::contract(1.0, dbrav, {1,0}, dketv, {1,2}, 0.0, rdm2t, {0,2});`
`144`	`144`	`}`