gint : removed grid_base_beta

Author: wenfei-li

source/src_lcao/CMakeLists.txt

@@ -43,7 +43,6 @@ list(APPEND objects
     gint_k_vl.cpp
     gint_tools.cpp
     global_fp.cpp
-    grid_base_beta.cpp
     grid_bigcell.cpp
     grid_meshball.cpp
     grid_meshcell.cpp

source/src_lcao/gint_gamma.cpp

@@ -93,10 +93,19 @@ void Gint_Gamma::save_atoms_on_grid(const Grid_Technique &gt)
 
 	this->vfactor = std::abs(this->latvec0.Det())/gt.ncxyz;
 
-    //OUT(GlobalV::ofs_running,"Max atom number on sub-FFT-grid",max_size);
-    //GlobalV::ofs_running << "\n dense(DIY) = " << dense;
-    //GlobalV::ofs_running << "\n count_dense = " << (double)count_dense/nxyz*100 << "%";
-    //GlobalV::ofs_running << "\n count_sparse = " << (double)count_sparse/nxyz*100 << "%" << std::endl;
-
     return;
 }
+
+void Gint_Gamma::prepare(
+    const ModuleBase::Matrix3 &latvec_in,
+    const double& lat0_in)
+{
+	ModuleBase::TITLE("Grid_Base_Beta","prepare");
+
+	this->lat0 = lat0_in;
+
+	this->latvec0 = latvec_in;
+	this->latvec0 *= this->lat0;
+	
+	return;
+}

source/src_lcao/gint_gamma.h

@@ -9,7 +9,6 @@
 #include "gint_tools.h"
 #include "../module_base/global_function.h"
 #include "../module_base/global_variable.h"
-#include "grid_base_beta.h"
 #include "grid_technique.h"
 #include "LCAO_matrix.h"
 #include <omp.h>
@@ -20,7 +19,7 @@
 // Numerical Orbitals
 //=========================================================
 
-class Gint_Gamma : public Grid_Base_Beta
+class Gint_Gamma
 {
 	public:
 
@@ -43,10 +42,16 @@ class Gint_Gamma : public Grid_Base_Beta
 
 	// (5) calculate the Mulliken charge
 	void cal_mulliken(double** mulliken);
-
+	
+	void prepare( 
+		const ModuleBase::Matrix3 &latvec_in, 
+        const double& lat0_in);
 
 private:
 
+	double vfactor;
+	ModuleBase::Matrix3 latvec0;
+	double lat0;
     double***  DM;   //pointer to LOC.DM
     double* transformer;
 	double psiv1;