MPQC  3.0.0-alpha
src/lib/chemistry/cca/server/buffer_size.h
00001 #include <vector>
00002 #include <chemistry/qc/basis/gaussbas.h>
00003 #include <sidl_SIDLException.hxx>
00004 
00009 namespace MpqcCca {
00010 
00011   class BufferSize {
00012 
00013   public:
00014     
00015     BufferSize( ) { }
00016     
00017     ~BufferSize( ) { }
00018     
00019   private:
00020     int n_center_, max_deriv_lvl_, max_segment_size_, max_n_segment_, size_;
00021     sc::Ref<sc::GaussianBasisSet> basis_sets_[4];
00022     
00023   public:
00024     
00025     void init( int n,
00026                sc::Ref<sc::GaussianBasisSet>,
00027                sc::Ref<sc::GaussianBasisSet>,
00028                sc::Ref<sc::GaussianBasisSet>,
00029                sc::Ref<sc::GaussianBasisSet> ); 
00030     
00031     void update( int deriv_lvl, int n_segment );
00032 
00033     int size() { return size_; }
00034     
00035   };
00036 }

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