fix structure factor

mohanchen · mohanchen · commit 3fe9aed80186 · 2025-11-05T08:56:09.000+08:00
diff --git a/source/source_pw/module_pwdft/test/structure_factor_test.cpp b/source/source_pw/module_pwdft/test/structure_factor_test.cpp
@@ -75,7 +75,7 @@ TEST_F(StructureFactorTest, set)
 TEST_F(StructureFactorTest, setup_structure_factor_double)
 {
     rho_basis->npw = 10;
-    SF.setup_structure_factor(ucell,*pgrid,rho_basis);  
+    SF.setup(ucell,*pgrid,rho_basis);  
 
     for (int i=0;i< ucell->nat * (2 * rho_basis->nx + 1);i++) 
     {
@@ -100,7 +100,7 @@ TEST_F(StructureFactorTest, setup_structure_factor_float)
 {
     PARAM.sys.has_float_data = true;
     rho_basis->npw = 10;
-    SF.setup_structure_factor(ucell,*pgrid,rho_basis);  
+    SF.setup(ucell,*pgrid,rho_basis);  
 
     for (int i=0;i< ucell->nat * (2 * rho_basis->nx + 1);i++) 
     {
@@ -125,4 +125,4 @@ int main()
 {
     testing::InitGoogleTest();
     return RUN_ALL_TESTS();
-}
+}

Original file line number	Diff line number	Diff line change
`@@ -75,7 +75,7 @@ TEST_F(StructureFactorTest, set)`
`75`	`75`	`TEST_F(StructureFactorTest, setup_structure_factor_double)`
`76`	`76`	`{`
`77`	`77`	`rho_basis->npw = 10;`
`78`		`- SF.setup_structure_factor(ucell,*pgrid,rho_basis);`
	`78`	`+ SF.setup(ucell,*pgrid,rho_basis);`
`79`	`79`
`80`	`80`	`for (int i=0;i< ucell->nat * (2 * rho_basis->nx + 1);i++)`
`81`	`81`	`{`
`@@ -100,7 +100,7 @@ TEST_F(StructureFactorTest, setup_structure_factor_float)`
`100`	`100`	`{`
`101`	`101`	`PARAM.sys.has_float_data = true;`
`102`	`102`	`rho_basis->npw = 10;`
`103`		`- SF.setup_structure_factor(ucell,*pgrid,rho_basis);`
	`103`	`+ SF.setup(ucell,*pgrid,rho_basis);`
`104`	`104`
`105`	`105`	`for (int i=0;i< ucell->nat * (2 * rho_basis->nx + 1);i++)`
`106`	`106`	`{`
`@@ -125,4 +125,4 @@ int main()`
`125`	`125`	`{`
`126`	`126`	`testing::InitGoogleTest();`
`127`	`127`	`return RUN_ALL_TESTS();`
`128`		`-}`
	`128`	`+}`