Fix: error of noncolin and autoset mag

dyzheng · dyzheng · commit cac8b15854b7 · 2025-03-19T03:39:09.000Z
diff --git a/source/module_cell/read_atoms.cpp b/source/module_cell/read_atoms.cpp
@@ -864,7 +864,7 @@ bool UnitCell::read_atom_positions(std::ifstream &ifpos, std::ofstream &ofs_runn
         }
 	// atomic initial magnetism will be autoset if user set zero for every atom
 	// one exception is `lspinorb 1` with `noncolin 0`, this setting imply no-mag material but SOC included
-        if (autoset_mag && !PARAM.inp.lspinorb || PARAM.inp.noncolin)
+        if (autoset_mag && (!PARAM.inp.lspinorb || PARAM.inp.noncolin) )
         {
             if(PARAM.inp.nspin==4)
             {

Original file line number	Diff line number	Diff line change
`@@ -864,7 +864,7 @@ bool UnitCell::read_atom_positions(std::ifstream &ifpos, std::ofstream &ofs_runn`
`864`	`864`	`}`
`865`	`865`	`// atomic initial magnetism will be autoset if user set zero for every atom`
`866`	`866`	// one exception is `lspinorb 1` with `noncolin 0`, this setting imply no-mag material but SOC included
`867`		`- if (autoset_mag && !PARAM.inp.lspinorb \|\| PARAM.inp.noncolin)`
	`867`	`+ if (autoset_mag && (!PARAM.inp.lspinorb \|\| PARAM.inp.noncolin) )`
`868`	`868`	`{`
`869`	`869`	`if(PARAM.inp.nspin==4)`
`870`	`870`	`{`