fix : fix bug in module_surchem/efield.cpp

YuLiu98 · YuLiu98 · commit 95a57e84204a · 2022-05-27T19:01:31.000+08:00
diff --git a/source/module_surchem/efield.cpp b/source/module_surchem/efield.cpp
@@ -43,7 +43,7 @@ ModuleBase::matrix Efield::add_efield(const UnitCell &cell,
         bvec[2] = cell.G.e23; 
         latvec = cell.a2.norm();
     }
-    else if(efield_dir = 2)
+    else if(efield_dir == 2)
     {
         bvec[0] = cell.G.e31;
         bvec[1] = cell.G.e32; 
@@ -183,7 +183,7 @@ double Efield::saw_function(const double &a, const double &b, const double &x)
 
     const double fac = 1 - b;
 
-    if( x < a )
+    if( x <= a )
     {
         return x - a + 0.5 * fac;
     }

Original file line number	Diff line number	Diff line change
`@@ -43,7 +43,7 @@ ModuleBase::matrix Efield::add_efield(const UnitCell &cell,`
`43`	`43`	`bvec[2] = cell.G.e23;`
`44`	`44`	`latvec = cell.a2.norm();`
`45`	`45`	`}`
`46`		`- else if(efield_dir = 2)`
	`46`	`+ else if(efield_dir == 2)`
`47`	`47`	`{`
`48`	`48`	`bvec[0] = cell.G.e31;`
`49`	`49`	`bvec[1] = cell.G.e32;`
`@@ -183,7 +183,7 @@ double Efield::saw_function(const double &a, const double &b, const double &x)`
`183`	`183`
`184`	`184`	`const double fac = 1 - b;`
`185`	`185`
`186`		`- if( x < a )`
	`186`	`+ if( x <= a )`
`187`	`187`	`{`
`188`	`188`	`return x - a + 0.5 * fac;`
`189`	`189`	`}`