PSI: bmat.h Source File

00001 
00005 #ifndef _psi_bin_intder_bmat_h_
00006 #define _psi_bin_intder_bmat_h_
00007 
00008 namespace psi { namespace intder {
00009 
00010 class BMat
00011 {
00012  
00013 public:
00014   double **BMatrix;
00015   double **BMatSave;
00016   double *SVectArray;
00017   double **AMatrix;
00018   int disp;
00019 
00020   BMat();
00021   ~BMat();
00022 
00023   void init();
00024 
00025   void make_BMat();
00026   void invert_BMat();
00027   void BRow(double*, double, int, double*);
00028   void StoreElement(double*, int, int, double*, double*);
00029   void StoreElement(double*, int, int, int, double*, double*, double*);
00030   void StoreElement(double*, int, int, int, int, double*, double*, double*);
00031   void StoreElement(double*, int, int, int, int, double*, double*, double*, double*);
00032   void print_BMat();
00033 };
00034 
00035 }} // namespace psi::intder
00036 
00037 #endif // header guard