/* domain_improve.cpp * * Copyright (C) 2013 Jaron Kent-Dobias * * 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 . */ /* A program which facilitates automated mapping of bifurcation points in the * energy of a system where the Hessian is available. Currently, only a one * dimensional parameter space is supported. */ #include "domain_energy.h" #include "domain_minimize.h" #include #include #include #include #include #include // GSL includes. #include #include #include #include #include #include #include #include #include #include void bifur_eigenvalues(gsl_vector *eigenvalues, unsigned n, const gsl_vector *z, double c) { double eigenvalue; gsl_vector *beta; gsl_vector_complex *alpha; gsl_matrix *hess, *modI; gsl_eigen_gen_workspace *w; alpha = gsl_vector_complex_alloc(3 * n + 3); beta = gsl_vector_alloc(3 * n + 3); hess = gsl_matrix_alloc(3 * n + 3, 3 * n + 3); modI = gsl_matrix_alloc(3 * n + 3, 3 * n + 3); w = gsl_eigen_gen_alloc(3 * n + 3); gsl_matrix_set_zero(modI); for (unsigned i = 0; i < 2 * n; i++) gsl_matrix_set(modI, i, i, 1); domain_energy_hessian(hess, n, z, c); gsl_eigen_gen(hess, modI, alpha, beta, w); for (unsigned i = 0; i < 3 * n + 3; i++) { eigenvalue = gsl_vector_complex_get(alpha, i).dat[0] / gsl_vector_get(beta, i); gsl_vector_set(eigenvalues, i, eigenvalue); } gsl_vector_free(beta); gsl_vector_complex_free(alpha); gsl_matrix_free(modI); gsl_matrix_free(hess); gsl_eigen_gen_free(w); } void bifur_trueEigenvalues(gsl_vector *eigenvalues, unsigned n, const gsl_vector *z, double c) { double eigenvalue; gsl_vector *beta; gsl_vector_complex *alpha; gsl_matrix *hess, *modI; gsl_eigen_gen_workspace *w; alpha = gsl_vector_complex_alloc(3 * n + 4); beta = gsl_vector_alloc(3 * n + 4); hess = gsl_matrix_alloc(3 * n + 4, 3 * n + 4); modI = gsl_matrix_alloc(3 * n + 4, 3 * n + 4); w = gsl_eigen_gen_alloc(3 * n + 4); gsl_matrix_set_zero(modI); for (unsigned i = 0; i < 2 * n + 1; i++) gsl_matrix_set(modI, i, i, 1); domain_energy_truehessian(hess, n, z, c); gsl_eigen_gen(hess, modI, alpha, beta, w); for (unsigned i = 0; i < 3 * n + 4; i++) { eigenvalue = gsl_vector_complex_get(alpha, i).dat[0] / gsl_vector_get(beta, i); gsl_vector_set(eigenvalues, i, eigenvalue); } gsl_vector_free(beta); gsl_vector_complex_free(alpha); gsl_matrix_free(modI); gsl_matrix_free(hess); gsl_eigen_gen_free(w); } void bifur_eigensort(gsl_permutation *eigenorder, unsigned n, unsigned eigen_num, const gsl_vector *eigenvalues) { unsigned ii; gsl_vector *abs_eigenvalues; abs_eigenvalues = gsl_vector_alloc(3 * n + 3); for (unsigned i = 0; i < 3 * n + 3; i++) { gsl_vector_set(abs_eigenvalues, i, fabs(gsl_vector_get(eigenvalues, i))); } gsl_sort_vector_index(eigenorder, abs_eigenvalues); gsl_vector_memcpy(abs_eigenvalues, eigenvalues); for (unsigned i = eigen_num; i < 3 * n + 3; i++) { ii = gsl_permutation_get(eigenorder, i); gsl_vector_set(abs_eigenvalues, ii, INFINITY); } gsl_sort_vector_index(eigenorder, abs_eigenvalues); gsl_vector_free(abs_eigenvalues); } void bifur_trueEigensort(gsl_permutation *eigenorder, unsigned n, unsigned eigen_num, const gsl_vector *eigenvalues) { unsigned ii; gsl_vector *abs_eigenvalues; abs_eigenvalues = gsl_vector_alloc(3 * n + 4); for (unsigned i = 0; i < 3 * n + 4; i++) { gsl_vector_set(abs_eigenvalues, i, fabs(gsl_vector_get(eigenvalues, i))); } gsl_sort_vector_index(eigenorder, abs_eigenvalues); gsl_vector_memcpy(abs_eigenvalues, eigenvalues); for (unsigned i = eigen_num; i < 3 * n + 4; i++) { ii = gsl_permutation_get(eigenorder, i); gsl_vector_set(abs_eigenvalues, ii, INFINITY); } gsl_sort_vector_index(eigenorder, abs_eigenvalues); gsl_vector_free(abs_eigenvalues); } // Initializes the program. int main(int argc, char *argv[]) { int opt, min_fails; unsigned n, N, num; double c, g0, g, eps, energy; char *filename; bool eigenpres = true; // Setting default values. eps = 0; num = 25; gsl_vector *z, *old_z, *eigenvalues, *trueEigenvalues; gsl_permutation *eigenorder, *trueEigenorder; while ((opt = getopt(argc, argv, "n:c:d:g:h:i:N:p:m:j:e:t:s")) != -1) { switch (opt) { case 'n': n = atoi(optarg); break; case 'N': N = atoi(optarg); break; case 'g': g0 = atof(optarg); break; case 'i': filename = optarg; break; case 'e': eps = atof(optarg); break; default: exit(EXIT_FAILURE); } } z = gsl_vector_alloc(3 * n + 3); old_z = gsl_vector_alloc(3 * n + 3); eigenvalues = gsl_vector_alloc(3 * n + 3); trueEigenvalues = gsl_vector_alloc(3 * n + 4); eigenorder = gsl_permutation_alloc(3 * n + 3); trueEigenorder = gsl_permutation_alloc(3 * n + 4); g = g0; char ch; double throwaway; FILE *f = fopen(filename, "r+"); while (ch != '\n') ch = fgetc(f); ch = 'a'; while (ch != '\n' && ch != '\t') ch = fgetc(f); if (ch == '\n') eigenpres = false; rewind(f); fscanf(f, "%le\t", &c); fscanf(f, "%le\n", &energy); if (eigenpres) { ch = 'a'; while (ch != '\n') ch = fgetc(f); } gsl_vector_fscanf(f, z); fclose(f); min_fails = domain_minimize(z, n, c, eps, g, N, 4, 2, 0.9); if (min_fails) { printf("BIFUR: Initial relaxation failed, exiting.\n"); return 1; } bifur_eigenvalues(eigenvalues, n, z, c); bifur_eigensort(eigenorder, n, num, eigenvalues); bifur_trueEigenvalues(trueEigenvalues, n, z, c); bifur_trueEigensort(trueEigenorder, n, num, trueEigenvalues); energy = domain_energy_energy(n, z, c); unsigned ii; FILE *newf = fopen(filename, "w"); fprintf(newf, "%.12le\t%.12le\n", c, energy); for (unsigned i = 0; i < num; i++) { ii = gsl_permutation_get(eigenorder, i); fprintf(newf, "%.12le\t", gsl_vector_get(eigenvalues, ii)); } fprintf(newf, "\n"); for (unsigned i = 0; i < num; i++) { ii = gsl_permutation_get(trueEigenorder, i); fprintf(newf, "%.12le\t", gsl_vector_get(trueEigenvalues, ii)); } fprintf(newf, "\n"); for (unsigned i = 0; i < 3 * n + 3; i++) { fprintf(newf, "%.12le\t", gsl_vector_get(z, i)); } fclose(newf); }