Merge pull request #877 from pxlxingliang/develop

dyzheng · web-flow · commit af32cfef001a · 2022-04-28T16:03:53.000+08:00
fix(hsolver):correct the input of set_elpahandle in complex&lt;double&gt; case
diff --git a/source/module_hsolver/diago_elpa.cpp b/source/module_hsolver/diago_elpa.cpp
@@ -63,7 +63,7 @@ void DiagoElpa::diag(hamilt::Hamilt *phm_in, psi::Psi<std::complex<double>> &psi
     static bool has_set_elpa_handle = false;
     if (!has_set_elpa_handle)
     {
-        set_elpahandle(handle, h_mat.desc, h_mat.col, h_mat.row, GlobalV::NBANDS);
+        set_elpahandle(handle, h_mat.desc, h_mat.row, h_mat.col, GlobalV::NBANDS);
         has_set_elpa_handle = true;
     }
 

Original file line number	Diff line number	Diff line change
`@@ -63,7 +63,7 @@ void DiagoElpa::diag(hamilt::Hamilt *phm_in, psi::Psi<std::complex<double>> &psi`
`63`	`63`	`static bool has_set_elpa_handle = false;`
`64`	`64`	`if (!has_set_elpa_handle)`
`65`	`65`	`{`
`66`		`- set_elpahandle(handle, h_mat.desc, h_mat.col, h_mat.row, GlobalV::NBANDS);`
	`66`	`+ set_elpahandle(handle, h_mat.desc, h_mat.row, h_mat.col, GlobalV::NBANDS);`
`67`	`67`	`has_set_elpa_handle = true;`
`68`	`68`	`}`
`69`	`69`