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davidson for complex hermitean

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Jiri Pittner
2025-12-05 18:14:55 +01:00
parent 651f614c91
commit c70e5c5f18
3 changed files with 73 additions and 12 deletions
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30
vec.h
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@@ -311,10 +311,10 @@ public:
//! compute the Euclidean inner product (with conjugation in complex case)
inline const T operator*(const NRVec &rhs) const;
inline const T dot(const NRVec &rhs) const {return *this * rhs;};
//! compute the Euclidean inner product (with conjugation in complex case) with a stride-vector
inline const T dot(const T *a, const int stride = 1) const;
inline const T dot(const T *a, const int stride = 1, bool conjugate=true) const;
inline const T dot(const NRVec &rhs, bool conjugate=true) const {return dot(&((*this)[0]),1,conjugate);};
void gemv(const T beta, const NRMat<T> &a, const char trans, const T alpha, const NRVec &x);
void gemv(const T beta, const NRSMat<T> &a, const char trans /**< just for compatibility reasons */, const T alpha, const NRVec &x);
@@ -1073,10 +1073,25 @@ inline const T NRVec<T>::operator*(const NRVec<T> &rhs) const {
NOT_GPU(rhs);
T dot(0);
for(register int i=0; i<nn; ++i) dot += v[i]*rhs.v[i];
if(LA_traits<T>::is_complex()) for(register int i=0; i<nn; ++i) dot += LA_traits<T>::conjugate(v[i])*rhs.v[i];
else for(register int i=0; i<nn; ++i) dot += v[i]*rhs.v[i];
return dot;
}
/***************************************************************************
* compute dot product with optional conjugation
*/
template<typename T>
inline const T NRVec<T>::dot(const T *a, const int stride , bool conjugate) const
{
NOT_GPU(*this);
T dot(0);
if(LA_traits<T>::is_complex() && conjugate) for(register int i=0; i<nn; ++i) dot += LA_traits<T>::conjugate(v[i])*a[i*stride];
else for(register int i=0; i<nn; ++i) dot += v[i]*a[i*stride];
return dot;
}
/***************************************************************************//**
* indexing operator giving the element at given position with range checking in
* the DEBUG mode
@@ -1801,9 +1816,9 @@ inline const std::complex<double> NRVec<std::complex<double> >::operator*(const
* @return \f$\sum_{i=1}^N\vec{x}_{i}\cdot y_{\mathrm{stride}\cdot(i-1) + 1}\f$
******************************************************************************/
template<>
inline const double NRVec<double>::dot(const double *y, const int stride) const {
inline const double NRVec<double>::dot(const double *y, const int stride, bool conjugate) const {
NOT_GPU(*this);
return cblas_ddot(nn, y, stride, v, 1);
return cblas_ddot(nn,v, 1,y,stride);
}
/***************************************************************************//**
@@ -1813,10 +1828,11 @@ inline const double NRVec<double>::dot(const double *y, const int stride) const
* @return \f$\sum_{i=1}^N\vec{x}_{i}\cdot \overbar{y_{\mathrm{stride}\cdot(i-1) + 1}}\f$
******************************************************************************/
template<>
inline const std::complex<double> NRVec<std::complex<double> >::dot(const std::complex<double> *y, const int stride) const {
inline const std::complex<double> NRVec<std::complex<double> >::dot(const std::complex<double> *y, const int stride, bool conjugate) const {
std::complex<double> dot;
NOT_GPU(*this);
cblas_zdotc_sub(nn, y, stride, v, 1, &dot);
if(conjugate) cblas_zdotc_sub(nn, v,1,y, stride, &dot);
else cblas_zdotc_sub(nn, v,1,y, stride, &dot);
return dot;
}