read_hsx.cpp File Reference

opens the binary HSX output of SIESTA and reads all the data More...

#include "mex.h"
#include <unistd.h>
#include <string.h>
#include "EQuUs_MATLAB.h"

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Functions
void	__hsx_equus_MOD_read_hsx (char *fname, long *fname_len, EQstruct *eq_struct)
	====================================================================== Gateway routine to read in the hsx structure generated by the SIESTA package. More...
void	mexFunction (int nlhs, mxArray *plhs[], int nrhs, const mxArray *prhs[])
	Gateway routine to read in the hsx structure generated by the SIESTA package (see http://www.mathworks.com/help/matlab/matlab_external/standalone-example.html#zmw57dd0e18558). More...

Detailed Description

opens the binary HSX output of SIESTA and reads all the data

Definition in file read_hsx.cpp.

Function Documentation

__hsx_equus_MOD_read_hsx()

void __hsx_equus_MOD_read_hsx	(	char *	fname,
		long *	fname_len,
		EQstruct *	eq_struct
	)

====================================================================== Gateway routine to read in the hsx structure generated by the SIESTA package.

Copyright (C) 2016 Peter Rakyta, Ph.D.

This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with this program. If not, see http://www.gnu.org/licenses/.

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mexFunction()

void mexFunction	(	int	nlhs,
		mxArray *	plhs[],
		int	nrhs,
		const mxArray *	prhs[]
	)

Gateway routine to read in the hsx structure generated by the SIESTA package (see http://www.mathworks.com/help/matlab/matlab_external/standalone-example.html#zmw57dd0e18558).

Parameters

nlhs	Number of output (left-side) arguments, or the size of the plhs array.
plhs	Array of output arguments.
nrhs	Number of input (right-side) arguments, or the size of the prhs array.
prhs	Array of input arguments.

Definition at line 51 of file read_hsx.cpp.

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