*** empty log message ***
This commit is contained in:
jiri
parent
02a868e8aa
commit
6f42b9bb18
@ -1,6 +1,5 @@
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#ifndef _AUXSTORAGE_H_
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#define _AUXSTORAGE_H_
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#include "laerror.h"
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#include "vec.h"
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#include "mat.h"
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#include "smat.h"
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@ -68,6 +67,7 @@ void AuxStorage<T>::get(NRVec<T> &x, const int pos) const
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{
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if(recl==0) laerror("get from an empty file in AuxStorage");
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if((off64_t)-1 == lseek64(fd,pos*((off64_t)recl),SEEK_SET)) {perror(""); laerror("seek failed in AuxStorage");}
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x.copyonwrite();
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if((ssize_t)recl!=read(fd,&x[0],recl)) {perror(""); laerror("read failed in AuxStorage");}
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}
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@ -86,6 +86,7 @@ void AuxStorage<T>::get(NRMat<T> &x, const int pos) const
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{
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if(recl==0) laerror("get from an empty file in AuxStorage");
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if((off64_t)-1 == lseek64(fd,pos*((off64_t)recl),SEEK_SET)) {perror(""); laerror("seek failed in AuxStorage");}
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x.copyonwrite();
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if((ssize_t)recl!=read(fd,&x(0,0),recl)) {perror(""); laerror("read failed in AuxStorage");}
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}
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@ -104,6 +105,7 @@ void AuxStorage<T>::get(NRSMat<T> &x, const int pos) const
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{
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if(recl==0) laerror("get from an empty file in AuxStorage");
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if((off64_t)-1 == lseek64(fd,pos*((off64_t)recl),SEEK_SET)) {perror(""); laerror("seek failed in AuxStorage");}
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x.copyonwrite();
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if((ssize_t)recl!=read(fd,&x(0,0),recl)) {perror(""); laerror("read failed in AuxStorage");}
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}
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2
diis.h
2
diis.h
@ -1,4 +1,4 @@
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//DIIS convergence acceleration
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//DIIS convergence acceleration according to Pulay: Chem. Phys. Lett. 73, 393 (1980); J. Comp. Chem. 3,556 (1982)
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#ifndef _DIIS_H_
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#define _DIIS_H_
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#include "vec.h"
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4
la.h
4
la.h
@ -1,9 +1,7 @@
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#ifndef _LA_H_
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#define _LA_H_
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#ifdef _GLIBCPP_NO_TEMPLATE_EXPORT
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# define export
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#endif
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//this should be the single include file for the end user
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#include "vec.h"
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#include "smat.h"
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19
la_traits.h
19
la_traits.h
@ -1,9 +1,26 @@
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////////////////////////////////////////////////////////////////////////////
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//LA traits classes
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//LA traits classes and generally needed includes
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#ifndef _LA_TRAITS_INCL
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#define _LA_TRAITS_INCL
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using namespace std;
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#include <stdio.h>
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#include <string.h>
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#include <iostream>
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#include <complex>
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#include "laerror.h"
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extern "C" {
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#include "cblas.h"
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}
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#ifdef _GLIBCPP_NO_TEMPLATE_EXPORT
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# define export
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#endif
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//forward declarations
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template<typename C> class NRVec;
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template<typename C> class NRMat;
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50
mat.cc
50
mat.cc
@ -187,13 +187,14 @@ const NRVec<T> NRMat<T>::rsum() const
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// transpose Mat
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template <typename T>
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NRMat<T> & NRMat<T>::transposeme()
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NRMat<T> & NRMat<T>::transposeme(int n)
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{
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if(n==0) n=nn;
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#ifdef DEBUG
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if (nn != mm) laerror("transpose of non-square Mat");
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if (n==nn && nn != mm || n>mm || n>nn) laerror("transpose of non-square Mat");
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#endif
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copyonwrite();
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for(int i=1; i<nn; i++)
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for(int i=1; i<n; i++)
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for(int j=0; j<i; j++) {
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#ifdef MATPTR
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T tmp = v[i][j];
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@ -237,26 +238,6 @@ void NRMat<T>::fscanf(FILE *f, const char *format)
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/*
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* BLAS specializations for double and complex<double>
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@ -602,29 +583,6 @@ NRMat< complex<double> >::operator*(const NRSMat< complex<double> > &rhs) const
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return result;
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}
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// Mat * Vec
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const NRVec<double>
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NRMat<double>::operator*(const NRVec<double> &vec) const
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{
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#ifdef DEBUG
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if(mm != vec.size()) laerror("incompatible sizes in Mat*Vec");
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#endif
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NRVec<double> result(nn);
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cblas_dgemv(CblasRowMajor, CblasNoTrans, nn, mm, 1.0, (*this)[0],
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mm, &vec[0], 1, 0.0, &result[0], 1);
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return result;
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}
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const NRVec< complex<double> >
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NRMat< complex<double> >::operator*(const NRVec< complex<double> > &vec) const
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{
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#ifdef DEBUG
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if(mm != vec.size()) laerror("incompatible sizes in Mat*Vec");
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#endif
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NRVec< complex<double> > result(nn);
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cblas_zgemv(CblasRowMajor, CblasNoTrans, nn, mm, (void *)&CONE, (void *)(*this)[0],
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mm, (void *)&vec[0], 1, (void *)&CZERO, (void *)&result[0], 1);
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return result;
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}
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// sum of rows
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const NRVec<double> NRMat<double>::rsum() const
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21
mat.h
21
mat.h
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#ifndef _LA_MAT_H_
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#define _LA_MAT_H_
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#include "vec.h"
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#include "smat.h"
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#include "la_traits.h"
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template <typename T>
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inline const NRMat operator-(const NRMat &rhs) const;
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inline const NRMat operator+(const NRSMat<T> &rhs) const;
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inline const NRMat operator-(const NRSMat<T> &rhs) const;
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const T dot(const NRMat &rhs) const; // scalar product of Mat.Mat
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const T dot(const NRMat &rhs) const; // scalar product of Mat.Mat//@@@for complex do conjugate
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const NRMat operator*(const NRMat &rhs) const; // Mat * Mat
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const NRMat oplus(const NRMat &rhs) const; //direct sum
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const NRMat otimes(const NRMat &rhs) const; //direct product
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const NRMat operator*(const NRSMat<T> &rhs) const; // Mat * Smat
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const NRMat operator&(const NRMat &rhs) const; // direct sum
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const NRMat operator|(const NRMat<T> &rhs) const; // direct product
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const NRVec<T> operator*(const NRVec<T> &rhs) const; // Mat * Vec
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const NRVec<T> operator*(const NRVec<T> &rhs) const {NRVec<T> result(nn); result.gemv((T)0,*this,'n',(T)1,rhs); return result;}; // Mat * Vec
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const NRVec<T> rsum() const; //sum of rows
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const NRVec<T> csum() const; //sum of columns
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void diagonalof(NRVec<T> &, const bool divide=0) const; //get diagonal
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inline const T& operator()(const int i, const int j) const;
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inline int nrows() const;
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inline int ncols() const;
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inline int size() const;
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void get(int fd, bool dimensions=1);
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void put(int fd, bool dimensions=1) const;
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void copyonwrite();
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void resize(const int n, const int m);
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inline operator T*(); //get a pointer to the data
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inline operator const T*() const;
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NRMat & transposeme(); // square matrices only
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NRMat & transposeme(int n=0); // square matrices only
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NRMat & conjugateme(); // square matrices only
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const NRMat transpose(bool conj=false) const;
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const NRMat conjugate() const;
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@ -103,6 +102,7 @@ public:
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NRMat & operator+=(const SparseMat<T> &rhs);
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NRMat & operator-=(const SparseMat<T> &rhs);
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inline void simplify() {}; //just for compatibility with sparse ones
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bool issymmetric() const {return 0;};
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//Strassen's multiplication (better than n^3, analogous syntax to gemm)
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void strassen(const T beta, const NRMat &a, const char transa, const NRMat &b, const char transb, const T alpha);//this := alpha*op( A )*op( B ) + beta*this
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@ -110,6 +110,11 @@ public:
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};
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//due to mutual includes this has to be after full class declaration
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#include "vec.h"
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#include "smat.h"
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#include "sparsemat.h"
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// ctors
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template <typename T>
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NRMat<T>::NRMat(const int n, const int m) : nn(n), mm(m), count(new int)
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@ -294,6 +299,12 @@ inline int NRMat<T>::ncols() const
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return mm;
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}
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template <typename T>
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inline int NRMat<T>::size() const
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{
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return nn*mm;
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}
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// reference pointer to Mat
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template <typename T>
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inline NRMat<T>::operator T* ()
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@ -2,7 +2,11 @@ extern "C" {
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#include "atlas_enum.h"
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#include "clapack.h"
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}
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#include "la.h"
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#include "vec.h"
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#include "smat.h"
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#include "mat.h"
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#include "nonclass.h"
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#ifdef FORTRAN_
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#define FORNAME(x) x##_
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@ -74,11 +74,6 @@ extern void gdiagonalize(NRMat<double> &a, NRVec< complex<double> > &w,
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extern NRMat<double> matrixfunction(NRSMat<double> a, double (*f) (double));
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extern NRMat<double> matrixfunction(NRMat<double> a, complex<double> (*f)(const complex<double> &),const bool adjust=0);
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//////////////////////////////
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//other than lapack functions/
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//////////////////////////////
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//functions on matrices
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inline NRMat<double> sqrt(const NRSMat<double> &a) { return matrixfunction(a,&sqrt); }
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inline NRMat<double> log(const NRSMat<double> &a) { return matrixfunction(a,&log); }
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33
smat.cc
33
smat.cc
@ -248,27 +248,6 @@ NRSMat< complex<double> >::dot(const NRSMat< complex<double> > &rhs) const
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return dot;
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}
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// x = S * x
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const NRVec<double> NRSMat<double>::operator*(const NRVec<double> &rhs) const
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{
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#ifdef DEBUG
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if (nn!=rhs.size()) laerror("incompatible dimension in Smat*Vec");
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#endif
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NRVec<double> result(nn);
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cblas_dspmv(CblasRowMajor, CblasLower, nn, 1.0, v, rhs, 1, 0.0, result, 1);
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return result;
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}
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const NRVec< complex<double> >
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NRSMat< complex<double> >::operator*(const NRVec< complex<double> > &rhs) const
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{
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#ifdef DEBUG
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if (nn!=rhs.size()) laerror("incompatible dimension in Smat*Vec");
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#endif
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NRVec< complex<double> > result(nn);
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cblas_zhpmv(CblasRowMajor, CblasLower, nn, (void *)(&CONE), (void *)v,
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(const void *)rhs, 1, (void *)(&CZERO), (void *)result, 1);
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return result;
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}
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// norm of the matrix
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const double NRSMat<double>::norm(const double scalar) const
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@ -347,18 +326,6 @@ istream& operator>>(istream &s, NRSMat<T> &x)
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return s;
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}
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//not implemented yet
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const NRVec<int> NRSMat<int>::operator*(NRVec<int> const&rhs) const
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{
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laerror("NRSMat<int>::operator*(NRVec<int> const&) not implemented yet");
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return rhs;
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}
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const NRVec<char> NRSMat<char>::operator*(NRVec<char> const&rhs) const
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{
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laerror("NRSMat<char>::operator*(NRVec<char> const&) not implemented yet");
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return rhs;
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}
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22
smat.h
22
smat.h
@ -1,8 +1,6 @@
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#ifndef _LA_SMAT_H_
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#define _LA_SMAT_H_
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#include "vec.h"
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#include "mat.h"
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#include "la_traits.h"
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#define NN2 (nn*(nn+1)/2)
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@ -44,8 +42,8 @@ public:
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inline const NRMat<T> operator-(const NRMat<T> &rhs) const;
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const NRMat<T> operator*(const NRSMat &rhs) const; // SMat*SMat
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const NRMat<T> operator*(const NRMat<T> &rhs) const; // SMat*Mat
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const T dot(const NRSMat &rhs) const; // Smat.Smat
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const NRVec<T> operator*(const NRVec<T> &rhs) const;
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const T dot(const NRSMat &rhs) const; // Smat.Smat//@@@for complex do conjugate
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const NRVec<T> operator*(const NRVec<T> &rhs) const {NRVec<T> result(nn); result.gemv((T)0,*this,'n',(T)1,rhs); return result;}; // Mat * Vec
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void diagonalof(NRVec<T> &, const bool divide=0) const; //get diagonal
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inline const T& operator[](const int ij) const;
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inline T& operator[](const int ij);
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@ -53,6 +51,7 @@ public:
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inline T& operator()(const int i, const int j);
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inline int nrows() const;
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inline int ncols() const;
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inline int size() const;
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const double norm(const T scalar=(T)0) const;
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void axpy(const T alpha, const NRSMat &x); // this+= a*x
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inline const T amax() const;
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@ -69,9 +68,15 @@ public:
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//members concerning sparse matrix
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explicit NRSMat(const SparseMat<T> &rhs); // dense from sparse
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inline void simplify() {}; //just for compatibility with sparse ones
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bool issymmetric() const {return 1;}
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};
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// INLINES
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//due to mutual includes this has to be after full class declaration
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#include "vec.h"
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#include "mat.h"
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#include "sparsemat.h"
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// ctors
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template <typename T>
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inline NRSMat<T>::NRSMat(const int n) : nn(n), v(new T[NN2]),
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@ -293,6 +298,13 @@ inline int NRSMat<T>::ncols() const
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return nn;
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}
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template <typename T>
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inline int NRSMat<T>::size() const
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{
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return NN2;
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}
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// max value
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inline const double NRSMat<double>::amax() const
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{
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37
sparsemat.cc
37
sparsemat.cc
@ -1,7 +1,5 @@
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#include <string>
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#include <cmath>
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#include <complex>
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#include <iostream>
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#include <stdlib.h>
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#include <sys/types.h>
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#include <sys/stat.h>
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@ -14,10 +12,6 @@ template SparseMat<double>;
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template SparseMat<complex<double> >;
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#ifdef _GLIBCPP_NO_TEMPLATE_EXPORT
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# define export
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#endif
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export template <class T>
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ostream& operator<<(ostream &s, const SparseMat<T> &x)
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@ -403,7 +397,7 @@ export template <class T>
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void SparseMat<T>::incsize(const SPMatindex n, const SPMatindex m)
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{
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if(symmetric && n!=m) laerror("unsymmetric size increment of a symmetric sparsemat");
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if(!count && nn==0 && mm==0) count=new int(1);
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if(!count ) count=new int(1);
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copyonwrite();//this errors if !count
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unsort();
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nn+=n;
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@ -883,34 +877,8 @@ else
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}
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//multiplication with dense vector from both sides
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template <class T>
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const NRVec<T> SparseMat<T>::multiplyvector(const NRVec<T> &vec, const bool transp) const
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{
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if(transp && nn!=(SPMatindex)vec.size() || !transp && mm!=(SPMatindex)vec.size()) laerror("incompatible sizes in sparsemat*vector");
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NRVec<T> result(transp?mm:nn);
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result.gemv((T)0, *this, transp?'t':'n', (T)1., vec);
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return result;
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}
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template <class T>
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const NRVec<T> NRVec<T>::operator*(const SparseMat<T> &mat) const
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{
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if(mat.nrows()!= (SPMatindex)size()) laerror("incompatible sizes in vector*sparsemat");
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NRVec<T> result((T)0,mat.ncols());
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matel<T> *l=mat.getlist();
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bool symmetric=mat.issymmetric();
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while(l)
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{
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result.v[l->col]+= l->elem*v[l->row];
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if(symmetric&&l->row!=l->col) result.v[l->row]+= l->elem*v[l->col];
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l=l->next;
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}
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return result;
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}
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template<class T>
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const T SparseMat<T>::trace() const
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{
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@ -1249,7 +1217,6 @@ template SparseMat<T> & SparseMat<T>::operator-=(const T a); \
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template NRMat<T>::NRMat(const SparseMat<T> &rhs); \
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template NRSMat<T>::NRSMat(const SparseMat<T> &rhs); \
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template NRVec<T>::NRVec(const SparseMat<T> &rhs); \
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template const NRVec<T> SparseMat<T>::operator*(const NRVec<T> &vec) const; \
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template const NRVec<T> NRVec<T>::operator*(const SparseMat<T> &mat) const; \
|
||||
template SparseMat<T> & SparseMat<T>::join(SparseMat<T> &rhs); \
|
||||
template const T SparseMat<T>::trace() const; \
|
||||
@ -1263,7 +1230,7 @@ template void NRVec<T>::gemv(const T beta, const SparseMat<T> &a, const char tra
|
||||
|
||||
INSTANTIZE(double)
|
||||
|
||||
INSTANTIZE(complex<double>) //some functions are not OK for hermitean matrices, needs a revision!!!
|
||||
|
||||
// some functions are not OK for hermitean! INSTANTIZE(complex<double>)
|
||||
|
||||
#endif
|
||||
|
||||
39
sparsemat.h
39
sparsemat.h
@ -1,14 +1,13 @@
|
||||
#ifndef _SPARSEMAT_H_
|
||||
#define _SPARSEMAT_H_
|
||||
|
||||
//for vectors and dense matrices we shall need
|
||||
#include "la.h"
|
||||
#include "la_traits.h"
|
||||
|
||||
template<class T>
|
||||
template<typename T>
|
||||
inline const T MAX(const T &a, const T &b)
|
||||
{return b > a ? (b) : (a);}
|
||||
|
||||
template<class T>
|
||||
template<typename T>
|
||||
inline void SWAP(T &a, T &b)
|
||||
{T dum=a; a=b; b=dum;}
|
||||
|
||||
@ -21,7 +20,7 @@ typedef unsigned int SPMatindex;
|
||||
typedef int SPMatindexdiff; //more clear would be to use traits
|
||||
|
||||
//element of a linked list
|
||||
template<class T>
|
||||
template<typename T>
|
||||
struct matel
|
||||
{
|
||||
T elem;
|
||||
@ -31,7 +30,7 @@ struct matel
|
||||
};
|
||||
|
||||
|
||||
template <class T>
|
||||
template <typename T>
|
||||
class SparseMat {
|
||||
protected:
|
||||
SPMatindex nn;
|
||||
@ -86,8 +85,7 @@ public:
|
||||
inline const SparseMat operator*(const T &rhs) const {return SparseMat(*this) *= rhs;}
|
||||
inline const SparseMat operator+(const SparseMat &rhs) const {return SparseMat(*this) += rhs;} //must not be symmetric+general
|
||||
inline const SparseMat operator-(const SparseMat &rhs) const {return SparseMat(*this) -= rhs;} //must not be symmetric+general
|
||||
const NRVec<T> multiplyvector(const NRVec<T> &rhs, const bool transp=0) const; //sparse matrix * dense vector optionally transposed
|
||||
inline const NRVec<T> operator*(const NRVec<T> &rhs) const {return multiplyvector(rhs);} //sparse matrix * dense vector
|
||||
inline const NRVec<T> operator*(const NRVec<T> &rhs) const; // Mat * Vec
|
||||
void diagonalof(NRVec<T> &, const bool divide=0) const; //get diagonal
|
||||
const SparseMat operator*(const SparseMat &rhs) const;
|
||||
SparseMat & oplusequal(const SparseMat &rhs); //direct sum
|
||||
@ -128,14 +126,23 @@ public:
|
||||
void addsafe(const SPMatindex n, const SPMatindex m, const T elem);
|
||||
};
|
||||
|
||||
template <class T>
|
||||
//due to mutual includes this has to be after full class declaration
|
||||
#include "vec.h"
|
||||
#include "smat.h"
|
||||
#include "mat.h"
|
||||
|
||||
template <typename T>
|
||||
inline const NRVec<T> SparseMat<T>::operator*(const NRVec<T> &rhs) const
|
||||
{NRVec<T> result(nn); result.gemv((T)0,*this,'n',(T)1,rhs); return result;};
|
||||
|
||||
template <typename T>
|
||||
extern istream& operator>>(istream &s, SparseMat<T> &x);
|
||||
|
||||
template <class T>
|
||||
template <typename T>
|
||||
extern ostream& operator<<(ostream &s, const SparseMat<T> &x);
|
||||
|
||||
//destructor
|
||||
template <class T>
|
||||
template <typename T>
|
||||
SparseMat<T>::~SparseMat()
|
||||
{
|
||||
unsort();
|
||||
@ -148,7 +155,7 @@ SparseMat<T>::~SparseMat()
|
||||
}
|
||||
|
||||
//copy constructor (sort arrays are not going to be copied)
|
||||
template <class T>
|
||||
template <typename T>
|
||||
SparseMat<T>::SparseMat(const SparseMat<T> &rhs)
|
||||
{
|
||||
#ifdef debug
|
||||
@ -164,7 +171,7 @@ if(! &rhs) laerror("SparseMat copy constructor with NULL argument");
|
||||
nonzero=0;
|
||||
}
|
||||
|
||||
template <class T>
|
||||
template <typename T>
|
||||
const SparseMat<T> SparseMat<T>::transpose() const
|
||||
{
|
||||
if(list&&!count) laerror("some inconsistency in SparseMat transpose");
|
||||
@ -195,7 +202,7 @@ return result;
|
||||
|
||||
|
||||
|
||||
template<class T>
|
||||
template<typename T>
|
||||
inline const SparseMat<T> commutator ( const SparseMat<T> &x, const SparseMat<T> &y, const bool trx=0, const bool tryy=0)
|
||||
{
|
||||
SparseMat<T> r;
|
||||
@ -204,7 +211,7 @@ r.gemm((T)1,y,tryy?'t':'n',x,trx?'t':'n',(T)-1); //saves a temporary and simplif
|
||||
return r;
|
||||
}
|
||||
|
||||
template<class T>
|
||||
template<typename T>
|
||||
inline const SparseMat<T> anticommutator ( const SparseMat<T> &x, const SparseMat<T> &y, const bool trx=0, const bool tryy=0)
|
||||
{
|
||||
SparseMat<T> r;
|
||||
@ -215,7 +222,7 @@ return r;
|
||||
|
||||
|
||||
//add sparse to dense
|
||||
template<class T>
|
||||
template<typename T>
|
||||
NRMat<T> & NRMat<T>::operator+=(const SparseMat<T> &rhs)
|
||||
{
|
||||
if((unsigned int)nn!=rhs.nrows()||(unsigned int)mm!=rhs.ncols()) laerror("incompatible matrices in +=");
|
||||
|
||||
@ -1,4 +1,6 @@
|
||||
#include "la.h"
|
||||
|
||||
#include "mat.h"
|
||||
|
||||
/*Strassen algorithm*/
|
||||
// called routine is fortran-compatible
|
||||
extern "C" void fmm(const char c_transa,const char c_transb,const int m,const int n,const int k,const double alpha,
|
||||
|
||||
96
vec.cc
96
vec.cc
@ -15,6 +15,10 @@ extern ssize_t write(int, const void *, size_t);
|
||||
#define INSTANTIZE(T) \
|
||||
template ostream & operator<<(ostream &s, const NRVec< T > &x); \
|
||||
template istream & operator>>(istream &s, NRVec< T > &x); \
|
||||
template void NRVec<T>::put(int fd, bool dim) const; \
|
||||
template void NRVec<T>::get(int fd, bool dim); \
|
||||
|
||||
|
||||
|
||||
INSTANTIZE(double)
|
||||
INSTANTIZE(complex<double>)
|
||||
@ -26,8 +30,10 @@ INSTANTIZE(char)
|
||||
INSTANTIZE(unsigned char)
|
||||
template NRVec<double>;
|
||||
template NRVec<complex<double> >;
|
||||
template NRVec<int>;
|
||||
template NRVec<char>;
|
||||
template NRVec<int>;
|
||||
|
||||
|
||||
|
||||
|
||||
/*
|
||||
@ -228,13 +234,55 @@ NRVec< complex<double> > & NRVec< complex<double> >::normalize()
|
||||
return *this;
|
||||
}
|
||||
|
||||
//and for these types it does not make sense to normalize but we have them for linkage
|
||||
//stubs for linkage
|
||||
NRVec<int> & NRVec<int>::normalize() {laerror("normalize() impossible for integer types"); return *this;}
|
||||
NRVec<char> & NRVec<char>::normalize() {laerror("normalize() impossible for integer types"); return *this;}
|
||||
void NRVec<int>::gemv(const int beta,
|
||||
const NRSMat<int> &A, const char trans,
|
||||
const int alpha, const NRVec &x)
|
||||
{
|
||||
laerror("not yet implemented");
|
||||
}
|
||||
|
||||
void NRVec<char>::gemv(const char beta,
|
||||
const NRSMat<char> &A, const char trans,
|
||||
const char alpha, const NRVec &x)
|
||||
{
|
||||
laerror("not yet implemented");
|
||||
}
|
||||
|
||||
void NRVec<int>::gemv(const int beta,
|
||||
const NRMat<int> &A, const char trans,
|
||||
const int alpha, const NRVec &x)
|
||||
{
|
||||
laerror("not yet implemented");
|
||||
}
|
||||
|
||||
void NRVec<char>::gemv(const char beta,
|
||||
const NRMat<char> &A, const char trans,
|
||||
const char alpha, const NRVec &x)
|
||||
{
|
||||
laerror("not yet implemented");
|
||||
}
|
||||
|
||||
void NRVec<int>::gemv(const int beta,
|
||||
const SparseMat<int> &A, const char trans,
|
||||
const int alpha, const NRVec &x)
|
||||
{
|
||||
laerror("not yet implemented");
|
||||
}
|
||||
|
||||
void NRVec<char>::gemv(const char beta,
|
||||
const SparseMat<char> &A, const char trans,
|
||||
const char alpha, const NRVec &x)
|
||||
{
|
||||
laerror("not yet implemented");
|
||||
}
|
||||
|
||||
|
||||
|
||||
// gemv call
|
||||
|
||||
// gemv calls
|
||||
void NRVec<double>::gemv(const double beta, const NRMat<double> &A,
|
||||
const char trans, const double alpha, const NRVec &x)
|
||||
{
|
||||
@ -243,8 +291,9 @@ void NRVec<double>::gemv(const double beta, const NRMat<double> &A,
|
||||
laerror("incompatible sizes in gemv A*x");
|
||||
#endif
|
||||
cblas_dgemv(CblasRowMajor, (trans=='n' ? CblasNoTrans:CblasTrans),
|
||||
A.nrows(), A.ncols(), alpha, A[0], A.ncols(), x.v, 1, beta, v, 1);
|
||||
A.nrows(), A.ncols(), alpha, A, A.ncols(), x.v, 1, beta, v, 1);
|
||||
}
|
||||
|
||||
void NRVec< complex<double> >::gemv(const complex<double> beta,
|
||||
const NRMat< complex<double> > &A, const char trans,
|
||||
const complex<double> alpha, const NRVec &x)
|
||||
@ -254,35 +303,38 @@ void NRVec< complex<double> >::gemv(const complex<double> beta,
|
||||
laerror("incompatible sizes in gemv A*x");
|
||||
#endif
|
||||
cblas_zgemv(CblasRowMajor, (trans=='n' ? CblasNoTrans:CblasTrans),
|
||||
A.nrows(), A.ncols(), (void *)(&alpha), (void *)A[0], A.ncols(),
|
||||
(void *)x.v, 1, (void *)(&beta), (void *)v, 1);
|
||||
A.nrows(), A.ncols(), &alpha, A, A.ncols(),
|
||||
x.v, 1, &beta, v, 1);
|
||||
}
|
||||
|
||||
// Vec * Mat
|
||||
const NRVec<double> NRVec<double>::operator*(const NRMat<double> &mat) const
|
||||
|
||||
void NRVec<double>::gemv(const double beta, const NRSMat<double> &A,
|
||||
const char trans, const double alpha, const NRVec &x)
|
||||
{
|
||||
#ifdef DEBUG
|
||||
if(mat.nrows() != nn) laerror("incompatible sizes in Vec*Mat");
|
||||
if (A.ncols()!=x.size()) laerror("incompatible dimension in gemv A*x");
|
||||
#endif
|
||||
int n = mat.ncols();
|
||||
NRVec<double> result(n);
|
||||
cblas_dgemv(CblasRowMajor, CblasTrans, nn, n, 1.0, mat[0], n, v, 1,
|
||||
0.0, result.v, 1);
|
||||
return result;
|
||||
NRVec<double> result(nn);
|
||||
cblas_dspmv(CblasRowMajor, CblasLower, A.ncols(), alpha, A, x.v, 1, beta, v, 1);
|
||||
}
|
||||
const NRVec< complex<double> >
|
||||
NRVec< complex<double> >::operator*(const NRMat< complex<double> > &mat) const
|
||||
|
||||
|
||||
void NRVec< complex<double> >::gemv(const complex<double> beta,
|
||||
const NRSMat< complex<double> > &A, const char trans,
|
||||
const complex<double> alpha, const NRVec &x)
|
||||
{
|
||||
#ifdef DEBUG
|
||||
if(mat.nrows() != nn) laerror("incompatible sizes in Vec*Mat");
|
||||
if (A.ncols()!=x.size()) laerror("incompatible dimension in gemv");
|
||||
#endif
|
||||
int n = mat.ncols();
|
||||
NRVec< complex<double> > result(n);
|
||||
cblas_zgemv(CblasRowMajor, CblasTrans, nn, n, &CONE, mat[0], n, v, 1,
|
||||
&CZERO, result.v, 1);
|
||||
return result;
|
||||
NRVec< complex<double> > result(nn);
|
||||
cblas_zhpmv(CblasRowMajor, CblasLower, A.ncols(), &alpha, A,
|
||||
x.v, 1, &beta, v, 1);
|
||||
}
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
// Direc product Mat = Vec | Vec
|
||||
const NRMat<double> NRVec<double>::operator|(const NRVec<double> &b) const
|
||||
{
|
||||
|
||||
61
vec.h
61
vec.h
@ -1,24 +1,8 @@
|
||||
#ifndef _LA_VEC_H_
|
||||
#define _LA_VEC_H_
|
||||
|
||||
#include "laerror.h"
|
||||
extern "C" {
|
||||
#include "cblas.h"
|
||||
}
|
||||
#include <stdio.h>
|
||||
#include <complex>
|
||||
#include <string.h>
|
||||
#include <iostream>
|
||||
|
||||
using namespace std;
|
||||
|
||||
#include "la_traits.h"
|
||||
|
||||
template <typename T> class NRVec;
|
||||
template <typename T> class NRSMat;
|
||||
template <typename T> class NRMat;
|
||||
template <typename T> class SparseMat;
|
||||
|
||||
//////////////////////////////////////////////////////////////////////////////
|
||||
// Forward declarations
|
||||
template <typename T> void lawritemat(FILE *file,const T *a,int r,int c,
|
||||
@ -43,9 +27,6 @@ template<class T> \
|
||||
inline const NR##E<T> NR##E<T>::operator X(const NR##E<T> &a) const \
|
||||
{ return NR##E(*this) X##= a; }
|
||||
|
||||
#include "smat.h"
|
||||
#include "mat.h"
|
||||
|
||||
|
||||
// NRVec class
|
||||
template <typename T>
|
||||
@ -84,9 +65,14 @@ public:
|
||||
inline const NRVec operator+(const T &a) const;
|
||||
inline const NRVec operator-(const T &a) const;
|
||||
inline const NRVec operator*(const T &a) const;
|
||||
inline const T operator*(const NRVec &rhs) const; //scalar product -> ddot
|
||||
inline const NRVec operator*(const NRSMat<T> & S) const;
|
||||
const NRVec operator*(const NRMat<T> &mat) const;
|
||||
inline const T operator*(const NRVec &rhs) const; //scalar product -> dot
|
||||
inline const T dot(const NRVec &rhs) const {return *this * rhs;}; //@@@for complex do 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*/, const T alpha, const NRVec &x);
|
||||
void gemv(const T beta, const SparseMat<T> &a, const char trans, const T alpha, const NRVec &x);
|
||||
const NRVec operator*(const NRMat<T> &mat) const {NRVec<T> result(mat.ncols()); result.gemv((T)0,mat,'t',(T)1,*this); return result;};
|
||||
const NRVec operator*(const NRSMat<T> &mat) const {NRVec<T> result(mat.ncols()); result.gemv((T)0,mat,'t',(T)1,*this); return result;};
|
||||
const NRVec operator*(const SparseMat<T> &mat) const {NRVec<T> result(mat.ncols()); result.gemv((T)0,mat,'t',(T)1,*this); return result;};
|
||||
const NRMat<T> operator|(const NRVec<T> &rhs) const;
|
||||
inline const T sum() const; //sum of its elements
|
||||
inline const T dot(const T *a, const int stride=1) const; // ddot with a stride-vector
|
||||
@ -98,8 +84,6 @@ public:
|
||||
~NRVec();
|
||||
void axpy(const T alpha, const NRVec &x); // this+= a*x
|
||||
void axpy(const T alpha, const T *x, const int stride=1); // this+= a*x
|
||||
void gemv(const T beta, const NRMat<T> &a, const char trans,
|
||||
const T alpha, const NRVec &x);
|
||||
void copyonwrite();
|
||||
void resize(const int n);
|
||||
void get(int fd, bool dimensions=1);
|
||||
@ -112,11 +96,14 @@ public:
|
||||
void fscanf(FILE *f, const char *format);
|
||||
//sparse matrix concerning members
|
||||
explicit NRVec(const SparseMat<T> &rhs); // dense from sparse matrix with one of dimensions =1
|
||||
const NRVec operator*(const SparseMat<T> &mat) const; //vector*matrix
|
||||
inline void simplify() {}; //just for compatibility with sparse ones
|
||||
void gemv(const T beta, const SparseMat<T> &a, const char trans, const T alpha, const NRVec &x);
|
||||
};
|
||||
|
||||
//due to mutual includes this has to be after full class declaration
|
||||
#include "mat.h"
|
||||
#include "smat.h"
|
||||
#include "sparsemat.h"
|
||||
|
||||
template <typename T> ostream & operator<<(ostream &s, const NRVec<T> &x);
|
||||
template <typename T> istream & operator>>(istream &s, NRVec<T> &x);
|
||||
|
||||
@ -313,28 +300,36 @@ inline NRVec<T> & NRVec<T>::operator*=(const T &a)
|
||||
inline const double NRVec<double>::operator*(const NRVec<double> &rhs) const
|
||||
{
|
||||
#ifdef DEBUG
|
||||
if (nn != rhs.nn) laerror("ddot of incompatible vectors");
|
||||
if (nn != rhs.nn) laerror("dot of incompatible vectors");
|
||||
#endif
|
||||
return cblas_ddot(nn, v, 1, rhs.v, 1);
|
||||
return cblas_ddot(nn, v, 1, rhs.v, 1);
|
||||
}
|
||||
|
||||
|
||||
inline const complex<double>
|
||||
NRVec< complex<double> >::operator*(const NRVec< complex<double> > &rhs) const
|
||||
{
|
||||
#ifdef DEBUG
|
||||
if (nn != rhs.nn) laerror("ddot of incompatible vectors");
|
||||
if (nn != rhs.nn) laerror("dot of incompatible vectors");
|
||||
#endif
|
||||
complex<double> dot;
|
||||
cblas_zdotc_sub(nn, (void *)v, 1, (void *)rhs.v, 1, (void *)(&dot));
|
||||
return dot;
|
||||
}
|
||||
|
||||
// Vec * SMat = SMat * Vec
|
||||
template <typename T>
|
||||
inline const NRVec<T> NRVec<T>::operator*(const NRSMat<T> & S) const
|
||||
template<typename T>
|
||||
inline const T NRVec<T>::operator*(const NRVec<T> &rhs) const
|
||||
{
|
||||
return S * (*this);
|
||||
#ifdef DEBUG
|
||||
if (nn != rhs.nn) laerror("dot of incompatible vectors");
|
||||
#endif
|
||||
T dot = 0;
|
||||
for(int i=0; i<nn; ++i) dot+= v[i]*rhs.v[i];
|
||||
return dot;
|
||||
}
|
||||
|
||||
|
||||
|
||||
// Sum of elements
|
||||
inline const double NRVec<double>::sum() const
|
||||
{
|
||||
|
||||
Loading…
Reference in New Issue
Block a user