source: src/leastsquaremin.hpp@ ba9f5b

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Last change on this file since ba9f5b was ead4e6, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Made the periodentafel use STL-containers instead of custom llists
  • Property mode set to 100644
File size: 950 bytes
Line 
1/*
2 * leastsquaremin.hpp
3 *
4 * Created on: Aug 18, 2009
5 * Author: heber
6 */
7
8#ifndef LEASTSQUAREMIN_HPP_
9#define LEASTSQUAREMIN_HPP_
10
11using namespace std;
12
13/*********************************************** includes ***********************************/
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include <gsl/gsl_vector.h>
21
22/****************************************** forward declarations *****************************/
23
24class element;
25class molecule;
26class Vector;
27
28/********************************************** declarations *******************************/
29
30/** Parameter structure for least square minimsation.
31 */
32struct LSQ_params {
33 const Vector **vectors;
34 int num;
35};
36
37double LSQ(const gsl_vector * const x, void * params);
38
39/** Parameter structure for least square minimsation.
40 */
41struct lsq_params {
42 gsl_vector *x;
43 const molecule *mol;
44 const element *type;
45};
46
47
48
49#endif /* LEASTSQUAREMIN_HPP_ */
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