ProSHADE_lapack.cpp File Reference

This file contains all the functions needed to access LAPACK library for linear algebra computations. More...

#include <complex>
#include <lapacke.h>
#include <rvapi_interface.h>
#include "ProSHADE.h"
#include "ProSHADE_internal.h"

Go to the source code of this file.

Macros
#define	lapack_complex_double   std::complex<double>
#define	lapack_complex_float   std::complex<float>
#define	LAPACK_COMPLEX_CUSTOM

Detailed Description

The functions defined here make use of the LAPACK-E interface to call the LAPACK library directly from C++. This allows fast and numerically stable computation of linear algebra, such as the matrix decomposition onto singular values.

This file is part of the ProSHADE library for calculating shape descriptors and symmetry operators of protein structures. This is a prototype code, which is by no means complete or fully tested. Its use is at your own risk only. There is no quarantee that the results are correct.

Author

Michal Tykac

Garib N. Murshudov

Version

0.6.5

Date

NOV 2018

Definition in file ProSHADE_lapack.cpp.