fix : rename descriptor file

xuan112358 · xuan112358 · commit 60e78b5a0af8 · 2024-12-31T12:14:00.000+08:00
diff --git a/source/module_hamilt_lcao/module_deepks/cal_descriptor.cpp b/source/module_hamilt_lcao/module_deepks/cal_descriptor.cpp
@@ -95,7 +95,7 @@ void LCAO_Deepks::check_descriptor(const UnitCell& ucell, const std::string& out
     }
 
     // mohan updated 2024-07-25
-    std::string file = out_dir + "descriptor.dat";
+    std::string file = out_dir + "deepks_desc.dat";
     
     std::ofstream ofs(file.c_str());
 	ofs << std::setprecision(10);
diff --git a/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.cpp b/source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.cpp
@@ -194,7 +194,7 @@ void test_deepks::check_descriptor()
 {
     GlobalC::ld.cal_descriptor(ucell.nat);
     GlobalC::ld.check_descriptor(ucell,"./");
-    this->compare_with_ref("descriptor.dat", "descriptor_ref.dat");
+    this->compare_with_ref("deepks_desc.dat", "descriptor_ref.dat");
 }
 
 void test_deepks::check_gvx()

Original file line number	Diff line number	Diff line change
`@@ -95,7 +95,7 @@ void LCAO_Deepks::check_descriptor(const UnitCell& ucell, const std::string& out`
`95`	`95`	`}`
`96`	`96`
`97`	`97`	`// mohan updated 2024-07-25`
`98`		`- std::string file = out_dir + "descriptor.dat";`
	`98`	`+ std::string file = out_dir + "deepks_desc.dat";`
`99`	`99`
`100`	`100`	`std::ofstream ofs(file.c_str());`
`101`	`101`	`ofs << std::setprecision(10);`
Original file line number	Diff line number	Diff line change
`@@ -194,7 +194,7 @@ void test_deepks::check_descriptor()`
`194`	`194`	`{`
`195`	`195`	`GlobalC::ld.cal_descriptor(ucell.nat);`
`196`	`196`	`GlobalC::ld.check_descriptor(ucell,"./");`
`197`		`- this->compare_with_ref("descriptor.dat", "descriptor_ref.dat");`
	`197`	`+ this->compare_with_ref("deepks_desc.dat", "descriptor_ref.dat");`
`198`	`198`	`}`
`199`	`199`
`200`	`200`	`void test_deepks::check_gvx()`