fix after rebase

maki49 · maki49 · commit 218e8ad31e42 · 2024-10-16T19:02:44.000+08:00
diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp b/source/module_hamilt_lcao/hamilt_lcaodft/edm.cpp
@@ -58,7 +58,8 @@ elecstate::DensityMatrix<std::complex<double>, double> Force_LCAO<std::complex<d
 {
 
     // construct a DensityMatrix object
-    elecstate::DensityMatrix<std::complex<double>, double> edm(&kv, &pv, nspin);
+    const int nspin_dm = nspin == 2 ? 2 : 1;
+    elecstate::DensityMatrix<std::complex<double>, double> edm(&pv, nspin_dm, kv.kvec_d, kv.get_nks() / nspin_dm);
 
     //--------------------------------------------
     // calculate the energy density matrix here.

Original file line number	Diff line number	Diff line change
`@@ -58,7 +58,8 @@ elecstate::DensityMatrix<std::complex<double>, double> Force_LCAO<std::complex<d`
`58`	`58`	`{`
`59`	`59`
`60`	`60`	`// construct a DensityMatrix object`
`61`		`- elecstate::DensityMatrix<std::complex<double>, double> edm(&kv, &pv, nspin);`
	`61`	`+ const int nspin_dm = nspin == 2 ? 2 : 1;`
	`62`	`+ elecstate::DensityMatrix<std::complex<double>, double> edm(&pv, nspin_dm, kv.kvec_d, kv.get_nks() / nspin_dm);`
`62`	`63`
`63`	`64`	`//--------------------------------------------`
`64`	`65`	`// calculate the energy density matrix here.`