NumMat_impl.hpp

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/*
   Copyright (c) 2012 The Regents of the University of California,
   through Lawrence Berkeley National Laboratory.  

Authors: Lexing Ying, Mathias Jacquelin and Lin Lin

This file is part of PEXSI. All rights reserved.

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modification, are permitted provided that the following conditions are met:

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 */
#ifndef _PEXSI_NUMMAT_IMPL_HPP_
#define _PEXSI_NUMMAT_IMPL_HPP_


namespace  PEXSI{

template <class F> inline void NumMat<F>::allocate(F* data) {
  if(owndata_) {
    if(m_>0 && n_>0) { data_ = new F[m_*n_]; if( data_ == NULL ) {
      ErrorHandling("Cannot allocate memory.");}
    } else data_=NULL;
    if(data!=NULL){std::copy(data,data+m_*n_,data_);}
  } else {
    data_ = data;
  }
  bufsize_=m_*n_;
}
template <class F> inline void NumMat<F>::deallocate(){
  if(owndata_) {
    if(bufsize_>0) { delete[] data_; data_ = NULL; bufsize_ = 0; m_=0; n_=0; }
  }
}

template <class F> NumMat<F>::NumMat(Int m, Int n): m_(m), n_(n), owndata_(true) {
  this->allocate();
}

template <class F> NumMat<F>::NumMat(Int m, Int n, bool owndata, F* data): m_(m), n_(n), owndata_(owndata) {
  this->allocate(data);
}

template <class F> NumMat<F>::NumMat(const NumMat& C): m_(C.m_), n_(C.n_), owndata_(C.owndata_) {
  this->allocate(C.data_);
}

template <class F> NumMat<F>::~NumMat() {
  this->deallocate();
}

template <class F> NumMat<F>& NumMat<F>::Copy(const NumMat<F>& C) {
  this->deallocate();
  m_ = C.m_; n_=C.n_; owndata_=C.owndata_;
  this->allocate(C.data_);
  return *this;
}

template <class F> NumMat<F>& NumMat<F>::operator=(const NumMat<F>& C) {
  this->deallocate();
  m_ = C.m_; n_=C.n_; owndata_=C.owndata_;
  this->allocate(C.data_);
  return *this;
}

template <class F> void NumMat<F>::Resize(Int m, Int n)  {
  if( owndata_ == false ){
    ErrorHandling("Matrix being resized must own data.");
  }

  if(m*n > bufsize_) {
    this->deallocate();
    m_ = m; n_ = n;
    this->allocate();
  }
  else{
    m_ = m; n_ = n;
  }
}

template <class F> void NumMat<F>::Clear()  {
  if( owndata_ == false ){
    ErrorHandling("Matrix being cleared must own data.");
  }

  this->deallocate();
  m_ = 0; n_ = 0;
  bufsize_=0;
}





template <class F> const F& NumMat<F>::operator()(Int i, Int j) const  { 
  if( i < 0 || i >= m_ ||
      j < 0 || j >= n_ ) {
    ErrorHandling( "Index is out of bound." );
  }
  return data_[i+j*m_];
}

template <class F> F& NumMat<F>::operator()(Int i, Int j)  { 
  if( i < 0 || i >= m_ ||
      j < 0 || j >= n_ ) {
    ErrorHandling( "Index is out of bound." );
  }
  return data_[i+j*m_];
}

template <class F> F* NumMat<F>::VecData(Int j)  const 
{ 
  if( j < 0 || j >= n_ ) {
    ErrorHandling( "Index is out of bound." );
  }
  return &(data_[j*m_]); 
}


template <class F> inline void SetValue(NumMat<F>& M, F val)
{
  std::fill(M.Data(),M.Data()+M.m()*M.n(),val);
}

template <class F> inline Real Energy(const NumMat<F>& M)
{
  Real sum = 0;
  F *ptr = M.Data();
  for (Int i=0; i < M.m()*M.n(); i++) 
    sum += abs(ptr[i]) * abs(ptr[i]);
  return sum;
}


template <class F> inline void
Transpose ( const NumMat<F>& A, NumMat<F>& B )
{
  if( A.m() != B.n() || A.n() != B.m() ){
    B.Resize( A.n(), A.m() );
  }

  F* Adata = A.Data();
  F* Bdata = B.Data();
  Int m = A.m(), n = A.n();

  for( Int i = 0; i < m; i++ ){
    for( Int j = 0; j < n; j++ ){
//      Bdata[ j + n*i ] = F(std::conj(Adata[ i + j*m ]));
      Bdata[ j + n*i ] = Adata[ i + j*m ];
    }
  }


  return ;
}               // -----  end of function Transpose  ----- 

template <class F> inline void
Symmetrize( NumMat<F>& A )
{
  if( A.m() != A.n() ){
    ErrorHandling( "The matrix to be symmetrized should be a square matrix." );
  }

  NumMat<F> B;
  Transpose( A, B );

  F* Adata = A.Data();
  F* Bdata = B.Data();

  F  half = (F) 0.5;

  for( Int i = 0; i < A.m() * A.n(); i++ ){
    *Adata = half * (*Adata + *Bdata);
    Adata++; Bdata++;
  }


  return ;
}               // -----  end of function Symmetrize ----- 


} // namespace PEXSI

#endif // _PEXSI_NUMMAT_IMPL_HPP_