root / bin / compute_energy_width.cpp @ 1
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| 1 | 1 | akiss | #include "compute_energy_width.h" |
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| 2 | 1 | akiss | #include "minimize_BFGS.h" |
| 3 | 1 | akiss | #include <math.h> |
| 4 | 1 | akiss | #include <stdio.h> |
| 5 | 1 | akiss | #include <nlopt.h> |
| 6 | 1 | akiss | #include <omp.h> |
| 7 | 1 | akiss | |
| 8 | 1 | akiss | /* this function computes the mechanical energy and its derivatives */
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| 9 | 1 | akiss | |
| 10 | 1 | akiss | double compute_energy_width(unsigned n, const double *x, double *dx, void *parameters){ |
| 11 | 1 | akiss | |
| 12 | 1 | akiss | struct parameters_list3 {int vertex_number; double *vertices; int edge_number; int *edges_vertices; |
| 13 | 1 | akiss | double *lengths; double *rest_lengths; int *periodizer; double *width; double *height;}; |
| 14 | 1 | akiss | |
| 15 | 1 | akiss | minimize_BFGS(((parameters_list3*)parameters)->vertex_number, ((parameters_list3*)parameters)->vertices, ((parameters_list3*)parameters)->edge_number, |
| 16 | 1 | akiss | ((parameters_list3*)parameters)->edges_vertices, ((parameters_list3*)parameters)->lengths, ((parameters_list3*)parameters)->rest_lengths, |
| 17 | 1 | akiss | (double*)x, ((parameters_list3*)parameters)->periodizer, ((parameters_list3*)parameters)->width, ((parameters_list3*)parameters)->height);
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| 18 | 1 | akiss | |
| 19 | 1 | akiss | double energy=0; |
| 20 | 1 | akiss | |
| 21 | 1 | akiss | for (int i=0; i<((parameters_list3*)parameters)->edge_number; i++){ |
| 22 | 1 | akiss | energy+=pow((((parameters_list3*)parameters)->lengths[i])/(((parameters_list3*)parameters)->rest_lengths[i])-1.02,2.); |
| 23 | 1 | akiss | } |
| 24 | 1 | akiss | |
| 25 | 1 | akiss | return(energy);
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| 26 | 1 | akiss | |
| 27 | 1 | akiss | } |