remove vectorvector in bfgs and add parameter cp2k

Author: Fei Yang

source/source_relax/ions_move_basic.cpp

@@ -24,9 +24,6 @@ double Ions_Move_Basic::best_xxx = 1.0;
 
 int Ions_Move_Basic::out_stru = 0;
 std::vector<std::string> Ions_Move_Basic::relax_method = {"bfgs","2"};
-namespace Ions_Move_Basic {
-    std::string cp2k = "none";
-}
 
 void Ions_Move_Basic::setup_gradient(const UnitCell &ucell, const ModuleBase::matrix &force, double *pos, double *grad)
 {

source/source_relax/lattice_change_basic.cpp

@@ -16,6 +16,8 @@ double Lattice_Change_Basic::ediff = 0.0;
 double Lattice_Change_Basic::etot = 0.0;
 double Lattice_Change_Basic::etot_p = 0.0;
 
+std::string Ions_Move_Basic::cp2k = "none";
+
 // double Lattice_Change_Basic::lattice_change_ini = 0.5; // default is 0.5
 double Lattice_Change_Basic::lattice_change_ini = 0.01; // default is 0.5
 std::string Lattice_Change_Basic::fixed_axes = "None";

source/source_relax/test/CMakeLists.txt

@@ -32,13 +32,13 @@ list(APPEND cell_source_files
 AddTest(
   TARGET lattice_change_methods_test
   LIBS parameter ${math_libs} base device 
-  SOURCES lattice_change_methods_test.cpp ../lattice_change_methods.cpp ../lattice_change_basic.cpp ../ions_move_basic.cpp
+  SOURCES lattice_change_methods_test.cpp ../lattice_change_methods.cpp ../lattice_change_basic.cpp
 )
 
 AddTest(
   TARGET lattice_change_basic_test
   LIBS parameter ${math_libs} base device 
-  SOURCES lattice_change_basic_test.cpp ../lattice_change_basic.cpp ../ions_move_basic.cpp
+  SOURCES lattice_change_basic_test.cpp ../lattice_change_basic.cpp 
 )
 
 AddTest(