update operator.cpp call_act func

haozhihan · haozhihan · commit b2bf7aaf7388 · 2024-12-21T05:54:28.000Z
diff --git a/source/module_hamilt_general/operator.cpp b/source/module_hamilt_general/operator.cpp
@@ -61,8 +61,11 @@ typename Operator<T, Device>::hpsi_info Operator<T, Device>::hPsi(hpsi_info& inp
     }
 
     auto call_act = [&, this](const Operator* op, const bool& is_first_node) -> void {
+        
         // a "psi" with the bands of needed range
-        psi::Psi<T, Device> psi_wrapper(const_cast<T*>(tmpsi_in), 1, nbands, psi_input->get_nbasis());
+        psi::Psi<T, Device> psi_wrapper(const_cast<T*>(tmpsi_in), 1, nbands, psi_input->get_nbasis(), nullptr, true);
+        
+        
         switch (op->get_act_type())
         {
         case 2:

Original file line number	Diff line number	Diff line change
`@@ -61,8 +61,11 @@ typename Operator<T, Device>::hpsi_info Operator<T, Device>::hPsi(hpsi_info& inp`
`61`	`61`	`}`
`62`	`62`
`63`	`63`	`auto call_act = [&, this](const Operator* op, const bool& is_first_node) -> void {`
	`64`	`+`
`64`	`65`	`// a "psi" with the bands of needed range`
`65`		`- psi::Psi<T, Device> psi_wrapper(const_cast<T*>(tmpsi_in), 1, nbands, psi_input->get_nbasis());`
	`66`	`+ psi::Psi<T, Device> psi_wrapper(const_cast<T*>(tmpsi_in), 1, nbands, psi_input->get_nbasis(), nullptr, true);`
	`67`	`+`
	`68`	`+`
`66`	`69`	`switch (op->get_act_type())`
`67`	`70`	`{`
`68`	`71`	`case 2:`