Merge branch 'refactor_spin' of github.com:dyzheng/abacus-develop into refactor_spin

dyzheng · dyzheng · commit 142ffc0b8437 · 2024-11-20T05:44:04.000Z
diff --git a/source/module_hamilt_lcao/module_deltaspin/basic_funcs.cpp b/source/module_hamilt_lcao/module_deltaspin/basic_funcs.cpp
@@ -142,7 +142,8 @@ void print_2d(const std::string info, const std::vector<ModuleBase::Vector3<doub
     for (const auto &row : array)
     {
         iat += 1;
-        if (nspin == 2) ofs << FmtCore::format("ATOM %6d %20.10f\n", iat, row.z*unit_convert);
-        else if (nspin == 4) ofs << FmtCore::format("ATOM %6d %20.10f %20.10f %20.10f\n", iat, row.x*unit_convert, row.y*unit_convert, row.z*unit_convert);
+        if (nspin == 2) { ofs << FmtCore::format("ATOM %6d %20.10f\n", iat, row.z*unit_convert);
+        } else if (nspin == 4) { ofs << FmtCore::format("ATOM %6d %20.10f %20.10f %20.10f\n", iat, row.x*unit_convert, row.y*unit_convert, row.z*unit_convert);
+}
     }
 }

Original file line number	Diff line number	Diff line change
`@@ -142,7 +142,8 @@ void print_2d(const std::string info, const std::vector<ModuleBase::Vector3<doub`
`142`	`142`	`for (const auto &row : array)`
`143`	`143`	`{`
`144`	`144`	`iat += 1;`
`145`		`- if (nspin == 2) ofs << FmtCore::format("ATOM %6d %20.10f\n", iat, row.z*unit_convert);`
`146`		`- else if (nspin == 4) ofs << FmtCore::format("ATOM %6d %20.10f %20.10f %20.10f\n", iat, row.xunit_convert, row.yunit_convert, row.z*unit_convert);`
	`145`	`+ if (nspin == 2) { ofs << FmtCore::format("ATOM %6d %20.10f\n", iat, row.z*unit_convert);`
	`146`	`+ } else if (nspin == 4) { ofs << FmtCore::format("ATOM %6d %20.10f %20.10f %20.10f\n", iat, row.xunit_convert, row.yunit_convert, row.z*unit_convert);`
	`147`	`+}`
`147`	`148`	`}`
`148`	`149`	`}`