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authorJaron Kent-Dobias <jkentdobias@g.hmc.edu>2014-05-01 16:01:48 -0700
committerJaron Kent-Dobias <jkentdobias@g.hmc.edu>2014-05-01 16:01:48 -0700
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created a git repository for my thesis code.
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+/* domain_energy.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 <http://www.gnu.org/licenses/>.
+ */
+
+/* A lightweight and efficient model of two dimensional phase-modulated domains
+ * using Newton's method to minimize a Lagrangian.
+ *
+ * Best viewed in an 80 character terminal with two character hard tabs.
+ */
+
+
+#include <stdlib.h>
+#include <math.h>
+
+// GSL includes.
+#include <gsl/gsl_sf.h>
+#include <gsl/gsl_math.h>
+#include <gsl/gsl_complex.h>
+#include <gsl/gsl_complex_math.h>
+#include <gsl/gsl_vector.h>
+#include <gsl/gsl_permutation.h>
+#include <gsl/gsl_blas.h>
+
+
+void domain_energy_x(gsl_vector *x, unsigned n, const gsl_vector *z) {
+// Gets the full set of x coordinates from the state array.
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+
+}
+
+
+void domain_energy_y(gsl_vector *y, unsigned n, const gsl_vector *z) {
+// Gets the full set of y coordinates from the state array.
+
+ gsl_vector_set(y, 0, 0);
+
+ #pragma omp parallel for
+ for (unsigned i = 1; i < n; i++) {
+ gsl_vector_set(y, i, gsl_vector_get(z, n + i - 1));
+ }
+
+}
+
+
+void gsl_permutation_over(unsigned n, gsl_permutation *perm, bool right) {
+// Shifts a GSL permutation object circularly. If right is true, then the
+// permutation is shifted to the right; if false, then it is shifted to the
+// left.
+
+ gsl_permutation_swap(perm, 0, n - 1);
+
+ if (right) {
+ for (unsigned i = 0; i < n - 2; i++) {
+ gsl_permutation_swap(perm, n - 1 - i, n - 2 - i);
+ }
+ }
+
+ else {
+ for (unsigned i = 0; i < n - 2; i++) {
+ gsl_permutation_swap(perm, i, i + 1);
+ }
+ }
+}
+
+
+double domain_energy_area(unsigned n, const gsl_vector *x, const gsl_vector *y) {
+// Computes the area of a domain.
+
+ double area, x_i, y_i, x_ii, y_ii;
+ unsigned ii;
+
+ gsl_permutation *indices_left;
+
+ indices_left = gsl_permutation_alloc(n);
+ gsl_permutation_init(indices_left);
+ gsl_permutation_over(n, indices_left, false);
+
+ area = 0;
+
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_left, i);
+
+ x_i = gsl_vector_get(x, i);
+ y_i = gsl_vector_get(y, i);
+ x_ii = gsl_vector_get(x, ii);
+ y_ii = gsl_vector_get(y, ii);
+
+ area += (x_i * y_ii - x_ii * y_i) / 2;
+ }
+
+ gsl_permutation_free(indices_left);
+
+ return area;
+}
+
+
+void domain_energy_rt(gsl_vector *rt, unsigned n, const gsl_vector *x,
+ double p) {
+// Converts x and y coordinates to r_x, r_y, t_x, or t_y, depending on input.
+
+ double x_i, x_ii;
+ unsigned ii;
+
+ gsl_permutation *indices_left;
+
+ indices_left = gsl_permutation_alloc(n);
+ gsl_permutation_init(indices_left);
+ gsl_permutation_over(n, indices_left, false);
+
+ #pragma omp parallel for private(ii, x_i, x_ii)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_left, i);
+
+ x_i = gsl_vector_get(x, i);
+ x_ii = gsl_vector_get(x, ii);
+
+ gsl_vector_set(rt, i, x_ii + p * x_i);
+ }
+
+ gsl_permutation_free(indices_left);
+}
+
+
+void domain_energy_tdots(gsl_matrix *tdots, unsigned n, const gsl_vector *tx,
+ const gsl_vector *ty) {
+// Creates a matrix of dotted tangent vectors.
+
+ gsl_matrix_set_zero(tdots);
+
+ gsl_blas_dger(1, tx, tx, tdots);
+ gsl_blas_dger(1, ty, ty, tdots);
+}
+
+
+void domain_energy_dists(gsl_matrix *dists, unsigned n, const gsl_vector *rx,
+ const gsl_vector *ry) {
+// Creates a matrix of distances between points on the domain boundary..
+
+ double rx_i, rx_j, ry_i, ry_j;
+
+ #pragma omp parallel for private(rx_i, rx_j, ry_i, ry_j)
+ for (unsigned i = 0; i < n; i++) {
+ for (unsigned j = 0; j < n; j++) {
+ rx_i = gsl_vector_get(rx, i);
+ rx_j = gsl_vector_get(rx, j);
+
+ ry_i = gsl_vector_get(ry, i);
+ ry_j = gsl_vector_get(ry, j);
+
+ gsl_matrix_set(dists, i, j,
+ 2 / sqrt(gsl_pow_2(rx_i - rx_j) + gsl_pow_2(ry_i - ry_j)));
+ }
+ }
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ gsl_matrix_set(dists, i, i, 0);
+ }
+}
+
+
+double domain_energy_dconst(unsigned n, double L, double *ld,
+ const gsl_vector *tx, const gsl_vector *ty) {
+// Computes the value of the Lagrangian constraint on the distances.
+
+ double dconst, tx_i, ty_i;
+
+ dconst = 0;
+
+ for (unsigned i = 0; i < n; i++) {
+ tx_i = gsl_vector_get(tx, i);
+ ty_i = gsl_vector_get(ty, i);
+
+ dconst += ld[i] * (gsl_pow_2(L / n)
+ - (gsl_pow_2(tx_i) + gsl_pow_2(ty_i)));
+ }
+
+ return dconst;
+}
+
+
+double domain_energy_dval(unsigned n, double L, double *ld,
+ const gsl_vector *tx, const gsl_vector *ty) {
+// Computes the value of the Lagrangian constraint on the distances.
+
+ double dconst, tx_i, ty_i;
+
+ dconst = 0;
+
+ for (unsigned i = 0; i < n; i++) {
+ tx_i = gsl_vector_get(tx, i);
+ ty_i = gsl_vector_get(ty, i);
+
+ dconst += gsl_pow_2(gsl_pow_2(L / n)
+ - (gsl_pow_2(tx_i) + gsl_pow_2(ty_i)));
+ }
+
+ return dconst;
+}
+
+
+double domain_energy_init(unsigned n, const gsl_vector *z, gsl_vector *rx,
+ gsl_vector *ry, gsl_vector *tx, gsl_vector *ty, gsl_matrix *tdots,
+ gsl_matrix *dists) {
+// Get useful objects from the state vector. Fills all GSL matrix and vector
+// objects, and returns the value of the area.
+
+ double area;
+
+ gsl_vector *x, *y;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+
+ domain_energy_x(x, n, z);
+ domain_energy_y(y, n, z);
+
+ domain_energy_rt(rx, n, x, 1);
+ domain_energy_rt(ry, n, y, 1);
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ domain_energy_tdots(tdots, n, tx, ty);
+ domain_energy_dists(dists, n, rx, ry);
+
+ area = domain_energy_area(n, x, y);
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+
+ return area;
+}
+
+
+double domain_energy_energy(unsigned n,
+ double c, const gsl_vector *rx, const gsl_vector *ry, const gsl_vector *tx, const gsl_vector *ty, gsl_matrix *tdots, gsl_matrix *dists, double L) {
+// Computes the Lagrangian.
+
+ double energy_mu, energy, lagrangian, H;
+
+ gsl_vector *v_temp_a, *v_temp_b;
+
+ v_temp_a = gsl_vector_alloc(n);
+ v_temp_b = gsl_vector_alloc(n);
+
+ gsl_vector_set_all(v_temp_a, 1);
+ gsl_vector_set_all(v_temp_b, 1);
+
+ gsl_matrix_mul_elements(tdots, dists);
+ gsl_blas_dtrmv(CblasUpper, CblasNoTrans, CblasNonUnit, tdots, v_temp_a);
+ gsl_blas_ddot(v_temp_a, v_temp_b, &energy_mu);
+
+ H = log(0.5 * (n - 1)) + M_EULER + 1.0 / (n - 1)
+ - 1.0 / (12 * gsl_pow_2(0.5 * (n - 1)));
+
+ L = fabs(L);
+
+ energy = c * L - L * log(L) - energy_mu + L * H;
+
+ gsl_vector_free(v_temp_a);
+ gsl_vector_free(v_temp_b);
+
+ return energy;
+}
+
+double domain_energy_lagrangian(unsigned n,
+ double c, const gsl_vector *rx, const gsl_vector *ry, const gsl_vector *tx, const gsl_vector *ty, gsl_matrix *tdots, gsl_matrix *dists, double L, double area, double la, double *ld) {
+// Computes the Lagrangian.
+
+ double energy, lagrangian;
+
+ energy = domain_energy_energy(n, c, rx, ry, tx, ty, tdots, dists, L);
+
+ L = fabs(L);
+
+ lagrangian = energy - la * (area - M_PI) - domain_energy_dconst(n, L, ld, tx, ty);
+
+ return lagrangian;
+}
+
+
+void domain_energy_gradient(gsl_vector *grad, unsigned n,
+ double c, const gsl_vector *rx, const gsl_vector *ry, const gsl_vector *tx, const gsl_vector *ty, const gsl_matrix *tdots, const gsl_matrix *dists, double L, double area, double la, double *ld) {
+
+// Computes the gradient of the Lagrangian.
+ double rx_i, rx_ii, rx_j, tx_i, tx_ii, tx_j, ry_i, ry_ii,
+ ry_j, ty_i, ty_ii, ty_j, d_ij, d_iij, tdt_ij, tdt_iij, d_ij3, d_iij3;
+ unsigned ii, jj;
+
+ gsl_vector *v_ones, *v_storage;
+ gsl_matrix *m_dx, *m_dy;
+ gsl_permutation *indices_right;
+ gsl_permutation *indices_left;
+
+ v_ones = gsl_vector_alloc(n);
+ v_storage = gsl_vector_alloc(n);
+
+ m_dx = gsl_matrix_alloc(n, n);
+ m_dy = gsl_matrix_alloc(n, n);
+
+ indices_right = gsl_permutation_alloc(n);
+ indices_left = gsl_permutation_alloc(n);
+
+ gsl_vector_set_zero(grad);
+ gsl_vector_set_all(v_ones, 1);
+ gsl_permutation_init(indices_right);
+ gsl_permutation_over(n, indices_right, true);
+ gsl_permutation_init(indices_left);
+ gsl_permutation_over(n, indices_left, false);
+
+ #pragma omp parallel for private(rx_i, rx_j, tx_j, tdt_ij, d_ij, rx_ii, ry_i, ry_j, ty_j, ry_ii, tdt_iij, d_iij, d_ij3, d_iij3, ii)
+ for (unsigned i = 0; i < n; i++) {
+ for (unsigned j = 0; j < n; j++) {
+ ii = gsl_permutation_get(indices_right, i);
+
+ rx_i = gsl_vector_get(rx, i);
+ rx_ii = gsl_vector_get(rx, ii);
+ rx_j = gsl_vector_get(rx, j);
+ tx_j = gsl_vector_get(tx, j);
+
+ ry_i = gsl_vector_get(ry, i);
+ ry_ii = gsl_vector_get(ry, ii);
+ ry_j = gsl_vector_get(ry, j);
+ ty_j = gsl_vector_get(ty, j);
+
+ d_ij = gsl_matrix_get(dists, i, j);
+ d_iij = gsl_matrix_get(dists, ii, j);
+ tdt_ij = gsl_matrix_get(tdots, i, j);
+ tdt_iij = gsl_matrix_get(tdots, ii, j);
+
+ d_ij3 = gsl_pow_3(d_ij);
+ d_iij3 = gsl_pow_3(d_iij);
+
+ gsl_matrix_set(m_dx, i, j,
+ - tx_j * d_ij - (rx_i - rx_j) * tdt_ij * d_ij3 / 4
+ + tx_j * d_iij - (rx_ii - rx_j) * tdt_iij * d_iij3 / 4);
+
+ gsl_matrix_set(m_dy, i, j,
+ - ty_j * d_ij - (ry_i - ry_j) * tdt_ij * d_ij3 / 4
+ + ty_j * d_iij - (ry_ii - ry_j) * tdt_iij * d_iij3 / 4);
+ }
+ }
+
+ #pragma omp parallel for private(ii)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_right, i);
+ gsl_matrix_set(m_dx, i, ii, 0);
+ gsl_matrix_set(m_dx, i, i, 0);
+ gsl_matrix_set(m_dy, i, ii, 0);
+ gsl_matrix_set(m_dy, i, i, 0);
+ }
+
+ gsl_blas_dgemv(CblasNoTrans, 1, m_dx, v_ones, 0, v_storage);
+
+ #pragma omp parallel for private(ii, tx_i, tx_ii, d_ij)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_right, i);
+
+ tx_i = gsl_vector_get(tx, i);
+ tx_ii = gsl_vector_get(tx, ii);
+ d_ij = gsl_matrix_get(dists, i, ii);
+
+ gsl_vector_set(grad, i,
+ - (gsl_vector_get(v_storage, i) + (tx_i - tx_ii) * d_ij));
+ }
+
+ gsl_blas_dgemv(CblasNoTrans, 1, m_dy, v_ones, 0, v_storage);
+
+ #pragma omp parallel for private(ii, ty_i, ty_ii, d_ij)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_right, i);
+
+ ty_i = gsl_vector_get(ty, i);
+ ty_ii = gsl_vector_get(ty, ii);
+ d_ij = gsl_matrix_get(dists, i, ii);
+
+ gsl_vector_set(grad, i + n,
+ - (gsl_vector_get(v_storage, i) + (ty_i - ty_ii) * d_ij));
+ }
+
+ // darea/dx_i or y_i
+
+ #pragma omp parallel for private(ii, jj)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_right, i);
+ jj = gsl_permutation_get(indices_left, i);
+
+ gsl_vector_set(grad, i, gsl_vector_get(grad, i) -
+ 0.5 * (gsl_vector_get(ty, i) + gsl_vector_get(ty, ii)) * la);
+
+ gsl_vector_set(grad, n + i, gsl_vector_get(grad, n + i) +
+ 0.5 * (gsl_vector_get(tx, i) + gsl_vector_get(tx, ii)) * la);
+ }
+
+ #pragma omp parallel for private(ii, jj, tx_i, tx_ii, ty_i, ty_ii)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_right, i);
+ jj = gsl_permutation_get(indices_left, i);
+
+ tx_i = gsl_vector_get(tx, i);
+ tx_ii = gsl_vector_get(tx, ii);
+
+ ty_i = gsl_vector_get(ty, i);
+ ty_ii = gsl_vector_get(ty, ii);
+
+ gsl_vector_set(grad, i, gsl_vector_get(grad, i) -
+ 2 * (ld[i] * tx_i - ld[ii] * tx_ii));
+
+ gsl_vector_set(grad, i + n, gsl_vector_get(grad, i + n) -
+ 2 * (ld[i] * ty_i - ld[ii] * ty_ii));
+ }
+
+ // The gradient with respect to L.
+
+ L = fabs(L);
+ double gradLDist = 0;
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_right, i);
+ jj = gsl_permutation_get(indices_left, i);
+
+ tx_i = gsl_vector_get(tx, i);
+ tx_ii = gsl_vector_get(tx, ii);
+
+ ty_i = gsl_vector_get(ty, i);
+ ty_ii = gsl_vector_get(ty, ii);
+
+ gradLDist += 2 * L / gsl_pow_2(n) * ld[i];
+ }
+
+ double H = log(0.5 * (n - 1)) + M_EULER + 1.0 / (n - 1)
+ - 1.0 / (12 * gsl_pow_2(0.5 * (n - 1)));
+
+ double gradL = GSL_SIGN(L) * (c - (1 + log(L) - H) - gradLDist);
+
+ gsl_vector_set(grad, 2 * n, gradL);
+
+ // The gradients with respect to the undetermined coefficients are simply
+ // the constraints.
+
+ double gradla = M_PI - area;
+
+ gsl_vector_set(grad, 2 * n + 1, gradla);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ gsl_vector_set(grad, 2 * n + 2 + i, gsl_pow_2(gsl_vector_get(tx, i)) +
+ gsl_pow_2(gsl_vector_get(ty, i)) - gsl_pow_2(L / n));
+ }
+
+ gsl_vector_free(v_ones);
+ gsl_vector_free(v_storage);
+
+ gsl_matrix_free(m_dx);
+ gsl_matrix_free(m_dy);
+
+ gsl_permutation_free(indices_right);
+ gsl_permutation_free(indices_left);
+}
+
+
+void domain_energy_halfHessian(gsl_matrix *hess, unsigned n,
+ double c, const gsl_vector *rx, const gsl_vector *ry, const gsl_vector *tx, const gsl_vector *ty, const gsl_matrix *tdots, const gsl_matrix *dists, double L, double la, double *ld) {
+/* Computes the Hessian of the Lagrangian without the center of mass
+ * constraints and fixed point.
+ */
+
+ gsl_matrix *m_dxidxj, *m_dyidyj, *m_dxidxi, *m_dyidyi, *m_dxidxii,
+ *m_dyidyii, *m_dxidyj, *m_dxidyi, *m_dxiidyi, *m_dxidyii;
+ gsl_vector *v_ones, *v_storage;
+ gsl_permutation *indicesRight, *indicesLeft, *indices2Right;
+
+ unsigned ii, jj, iii;
+ double rx_i, rx_j, tx_i, tx_j, tdt_ij, d_ij, rx_ii, rx_jj, tx_ii, tx_jj,
+ ry_i, ry_j, ty_i, ty_j, ry_ii, ry_jj, ty_ii, ty_jj, tdt_iij, d_iij,
+ tdt_ijj, d_ijj, tdt_iijj, d_iijj, rx_iii, tx_iii, ry_iii, ty_iii,
+ d_ij3, d_iij3, d_ijj3, d_iijj3, d_ij5, d_iij5, d_ijj5, d_iijj5;
+
+ m_dxidxj = gsl_matrix_alloc(n, n);
+ m_dyidyj = gsl_matrix_alloc(n, n);
+ m_dxidxi = gsl_matrix_alloc(n, n);
+ m_dyidyi = gsl_matrix_alloc(n, n);
+ m_dxidxii = gsl_matrix_alloc(n, n);
+ m_dyidyii = gsl_matrix_alloc(n, n);
+ m_dxidyj = gsl_matrix_alloc(n, n);
+ m_dxidyi = gsl_matrix_alloc(n, n);
+ m_dxiidyi = gsl_matrix_alloc(n, n);
+ m_dxidyii = gsl_matrix_alloc(n, n);
+
+ v_ones = gsl_vector_alloc(n);
+ v_storage = gsl_vector_alloc(n);
+
+ indicesRight = gsl_permutation_alloc(n);
+ indicesLeft = gsl_permutation_alloc(n);
+ indices2Right = gsl_permutation_alloc(n);
+
+ gsl_matrix_set_zero(hess);
+ gsl_vector_set_all(v_ones, 1);
+
+ gsl_permutation_init(indicesRight);
+ gsl_permutation_init(indicesLeft);
+ gsl_permutation_over(n, indicesRight, true);
+ gsl_permutation_over(n, indicesLeft, false);
+ gsl_permutation_memcpy(indices2Right, indicesRight);
+ gsl_permutation_over(n, indices2Right, true);
+
+ #pragma omp parallel for private(rx_i, rx_j, tx_i, tx_j, tdt_ij, d_ij, rx_ii, rx_jj, tx_ii, tx_jj, ry_i, ry_j, ty_i, ty_j, ry_ii, ry_jj, ty_ii, ty_jj, tdt_iij, d_iij, tdt_ijj, d_ijj, tdt_iijj, d_iijj, rx_iii, tx_iii, ry_iii, ty_iii, d_ij3, d_iij3, d_ijj3, d_iijj3, d_ij5, d_iij5, d_ijj5, d_iijj5, ii, jj)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+ for (unsigned j = 0; j < n; j++) {
+ jj = gsl_permutation_get(indicesRight, j);
+
+ rx_i = gsl_vector_get(rx, i);
+ rx_j = gsl_vector_get(rx, j);
+ tx_i = gsl_vector_get(tx, i);
+ tx_j = gsl_vector_get(tx, j);
+
+ ry_i = gsl_vector_get(ry, i);
+ ry_j = gsl_vector_get(ry, j);
+ ty_i = gsl_vector_get(ty, i);
+ ty_j = gsl_vector_get(ty, j);
+
+ rx_ii = gsl_vector_get(rx, ii);
+ rx_jj = gsl_vector_get(rx, jj);
+ tx_ii = gsl_vector_get(tx, ii);
+ tx_jj = gsl_vector_get(tx, jj);
+
+ ry_ii = gsl_vector_get(ry, ii);
+ ry_jj = gsl_vector_get(ry, jj);
+ ty_ii = gsl_vector_get(ty, ii);
+ ty_jj = gsl_vector_get(ty, jj);
+
+ d_ij = gsl_matrix_get(dists, i, j);
+ tdt_ij = gsl_matrix_get(tdots, i, j);
+
+ d_iij = gsl_matrix_get(dists, ii, j);
+ tdt_iij = gsl_matrix_get(tdots, ii, j);
+
+ d_ijj = gsl_matrix_get(dists, i, jj);
+ tdt_ijj = gsl_matrix_get(tdots, i, jj);
+
+ d_iijj = gsl_matrix_get(dists, ii, jj);
+ tdt_iijj = gsl_matrix_get(tdots, ii, jj);
+
+ d_ij3 = gsl_pow_3(d_ij);
+ d_iij3 = gsl_pow_3(d_iij);
+ d_ijj3 = gsl_pow_3(d_ijj);
+ d_iijj3 = gsl_pow_3(d_iijj);
+ d_ij5 = gsl_pow_5(d_ij);
+ d_iij5 = gsl_pow_5(d_iij);
+ d_ijj5 = gsl_pow_5(d_ijj);
+ d_iijj5 = gsl_pow_5(d_iijj);
+
+ // d^2E / dx_i dx_j for i != j, j - 1.
+ gsl_matrix_set(m_dxidxj, i, j,
+ (rx_i - rx_j) * (tx_i - tx_j) * d_ij3 / 4 + d_ij
+ - 3 * gsl_pow_2(rx_i - rx_j) * tdt_ij * d_ij5 / 16
+ + tdt_ij * d_ij3 / 4
+
+ + (rx_ii - rx_j) * (tx_ii + tx_j) * d_iij3 / 4 - d_iij
+ - 3 * gsl_pow_2(rx_ii - rx_j) * tdt_iij * d_iij5 / 16
+ + tdt_iij * d_iij3 / 4
+
+ - (rx_i - rx_jj) * (tx_i + tx_jj) * d_ijj3 / 4 - d_ijj
+ - 3 * gsl_pow_2(rx_i - rx_jj) * tdt_ijj * d_ijj5 / 16
+ + tdt_ijj * d_ijj3 / 4
+
+ - (rx_ii - rx_jj) * (tx_ii - tx_jj) * d_iijj3 / 4 + d_iijj
+ - 3 * gsl_pow_2(rx_ii - rx_jj) * tdt_iijj * d_iijj5 / 16
+ + tdt_iijj * d_iijj3 / 4
+ );
+
+ // d^2E / dy_i dy_j for i != j, j - 1.
+ gsl_matrix_set(m_dyidyj, i, j,
+ (ry_i - ry_j) * (ty_i - ty_j) * d_ij3 / 4 + d_ij
+ - 3 * gsl_pow_2(ry_i - ry_j) * tdt_ij * d_ij5 / 16
+ + tdt_ij * d_ij3 / 4
+
+ + (ry_ii - ry_j) * (ty_ii + ty_j) * d_iij3 / 4 - d_iij
+ - 3 * gsl_pow_2(ry_ii - ry_j) * tdt_iij * d_iij5 / 16
+ + tdt_iij * d_iij3 / 4
+
+ - (ry_i - ry_jj) * (ty_i + ty_jj) * d_ijj3 / 4 - d_ijj
+ - 3 * gsl_pow_2(ry_i - ry_jj) * tdt_ijj * d_ijj5 / 16
+ + tdt_ijj * d_ijj3 / 4
+
+ - (ry_ii - ry_jj) * (ty_ii - ty_jj) * d_iijj3 / 4 + d_iijj
+ - 3 * gsl_pow_2(ry_ii - ry_jj) * tdt_iijj * d_iijj5 / 16
+ + tdt_iijj * d_iijj3 / 4
+ );
+
+ // d^2E / dx_i^2
+ gsl_matrix_set(m_dxidxi, i, j,
+ (rx_i - rx_j) * tx_j * d_ij3 / 2
+ + 3 * gsl_pow_2(rx_i - rx_j) * tdt_ij * d_ij5 / 16
+ - tdt_ij * d_ij3 / 4
+
+ - (rx_ii - rx_j) * tx_j * d_iij3 / 2
+ + 3 * gsl_pow_2(rx_ii - rx_j) * tdt_iij * d_iij5 / 16
+ - tdt_iij * d_iij3 / 4
+ );
+
+ // d^2E / dy_i^2
+ gsl_matrix_set(m_dyidyi, i, j,
+ (ry_i - ry_j) * ty_j * d_ij3 / 2
+ + 3 * gsl_pow_2(ry_i - ry_j) * tdt_ij * d_ij5 / 16
+ - tdt_ij * d_ij3 / 4
+
+ - (ry_ii - ry_j) * ty_j * d_iij3 / 2
+ + 3 * gsl_pow_2(ry_ii - ry_j) * tdt_iij * d_iij5 / 16
+ - tdt_iij * d_iij3 / 4
+ );
+
+ // d^2E / dx_i dx_(i-1)
+ gsl_matrix_set(m_dxidxii, i, j,
+ 3 * gsl_pow_2(rx_ii - rx_j) * tdt_iij * d_iij5 / 16
+ - tdt_iij * d_iij3 / 4
+ );
+
+ // d^2E / dy_i dy_(i-1)
+ gsl_matrix_set(m_dyidyii, i, j,
+ 3 * gsl_pow_2(ry_ii - ry_j) * tdt_iij * d_iij5 / 16
+ - tdt_iij * d_iij3 / 4
+ );
+
+ gsl_matrix_set(m_dxidyj, i, j,
+ (rx_i - rx_j) * ty_i * d_ij3 / 4
+ - (ry_i - ry_j) * tx_j * d_ij3 / 4
+ - 3 * (rx_i - rx_j) * (ry_i - ry_j) * tdt_ij * d_ij5 / 16
+
+ + (rx_ii - rx_j) * ty_ii * d_iij3 / 4
+ + (ry_ii - ry_j) * tx_j * d_iij3 / 4
+ - 3 * (rx_ii - rx_j) * (ry_ii - ry_j) * tdt_iij * d_iij5 / 16
+
+ - (rx_i - rx_jj) * ty_i * d_ijj3 / 4
+ - (ry_i - ry_jj) * tx_jj * d_ijj3 / 4
+ - 3 * (rx_i - rx_jj) * (ry_i - ry_jj) * tdt_ijj * d_ijj5 / 16
+
+ - (rx_ii - rx_jj) * ty_ii * d_iijj3 / 4
+ + (ry_ii - ry_jj) * tx_jj * d_iijj3 / 4
+ - 3 * (rx_ii - rx_jj) * (ry_ii - ry_jj) * tdt_iijj * d_iijj5 / 16
+ );
+
+ gsl_matrix_set(m_dxidyi, i, j,
+ (ry_i - ry_j) * tx_j * d_ij3 / 4
+ + (rx_i - rx_j) * ty_j * d_ij3 / 4
+ + 3 * (rx_i - rx_j) * (ry_i - ry_j) * tdt_ij * d_ij5 / 16
+
+ - (ry_ii - ry_j) * tx_j * d_iij3 / 4
+ - (rx_ii - rx_j) * ty_j * d_iij3 / 4
+ + 3 * (rx_ii - rx_j) * (ry_ii - ry_j) * tdt_iij * d_iij5 / 16
+ );
+
+ gsl_matrix_set(m_dxiidyi, i, j,
+ (ry_ii - ry_j) * tx_j * d_iij3 / 4
+ - (rx_ii - rx_j) * ty_j * d_iij3 / 4
+ + 3 * (rx_ii - rx_j) * (ry_ii - ry_j) * tdt_iij * d_iij5 / 16
+ );
+
+ gsl_matrix_set(m_dxidyii, i, j,
+ - (ry_i - ry_j) * tx_j * d_ij3 / 4
+ + (rx_i - rx_j) * ty_j * d_ij3 / 4
+ + 3 * (rx_i - rx_j) * (ry_i - ry_j) * tdt_ij * d_ij5 / 16
+ );
+
+ }
+ }
+
+ // Setting terms of d^2E / dy_i dy_j and d^2E / dx_i dx_j in the Hessian.
+ #pragma omp parallel for
+ for (unsigned i = 2; i < n; i++) {
+ for (unsigned j = 0; j < i - 1; j++) {
+
+ gsl_matrix_set(hess, i, j, - gsl_matrix_get(m_dxidxj, i, j));
+
+ gsl_matrix_set(hess, n + i, n + j, - gsl_matrix_get(m_dyidyj, i, j));
+ }
+ }
+
+ // Zeroing out terms which aren't supposed to appear in the sums.
+ #pragma omp parallel for private(ii, iii, jj)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+ iii = gsl_permutation_get(indices2Right, i);
+ jj = gsl_permutation_get(indicesLeft, i);
+ gsl_matrix_set(m_dxidxi, i, i, 0);
+ gsl_matrix_set(m_dxidxi, i, ii, 0);
+ gsl_matrix_set(m_dyidyi, i, i, 0);
+ gsl_matrix_set(m_dyidyi, i, ii, 0);
+ gsl_matrix_set(m_dxidxii, i, i, 0);
+ gsl_matrix_set(m_dxidxii, i, ii, 0);
+ gsl_matrix_set(m_dxidxii, i, iii, 0);
+ gsl_matrix_set(m_dyidyii, i, i, 0);
+ gsl_matrix_set(m_dyidyii, i, ii, 0);
+ gsl_matrix_set(m_dyidyii, i, iii, 0);
+ gsl_matrix_set(m_dxidyi, i, i, 0);
+ gsl_matrix_set(m_dxidyi, i, ii, 0);
+ gsl_matrix_set(m_dxiidyi, i, i, 0);
+ gsl_matrix_set(m_dxiidyi, i, ii, 0);
+ gsl_matrix_set(m_dxiidyi, i, iii, 0);
+ gsl_matrix_set(m_dxidyii, i, ii, 0);
+ gsl_matrix_set(m_dxidyii, i, jj, 0);
+ gsl_matrix_set(m_dxidyii, i, i, 0);
+ }
+
+ gsl_blas_dgemv(CblasNoTrans, 1, m_dxidxi, v_ones, 0, v_storage);
+
+ // Setting terms of d^2E / dx_i^2 in the Hessian.
+ #pragma omp parallel for private(ii, d_iij)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+
+ d_iij = gsl_matrix_get(dists, i, ii);
+
+ gsl_matrix_set(hess, i, i,
+ - (gsl_vector_get(v_storage, i) - 2 * d_iij)
+ + 2 * (ld[i] + ld[ii])
+ );
+ }
+
+ gsl_blas_dgemv(CblasNoTrans, 1, m_dyidyi, v_ones, 0, v_storage);
+
+ // Setting terms of d^2E / dy_i^2 in the Hessian.
+ #pragma omp parallel for private(ii, d_iij)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+
+ d_iij = gsl_matrix_get(dists, i, ii);
+
+ gsl_matrix_set(hess, n + i, n + i,
+ - (gsl_vector_get(v_storage, i) - 2 * d_iij)
+ + 2 * (ld[i] + ld[ii])
+ );
+ }
+
+ gsl_blas_dgemv(CblasNoTrans, 1, m_dxidxii, v_ones, 0, v_storage);
+
+ #pragma omp parallel for private(ii, rx_i, rx_ii, tx_i, tx_ii, d_ij)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+
+ rx_i = gsl_vector_get(rx, i);
+ rx_ii = gsl_vector_get(rx, ii);
+ tx_i = gsl_vector_get(tx, i);
+ tx_ii = gsl_vector_get(tx, ii);
+ d_ij = gsl_matrix_get(dists, i, ii);
+ gsl_vector_set(v_storage, i, gsl_vector_get(v_storage, i)
+ - (rx_ii - rx_i) * (tx_i - tx_ii) * gsl_pow_3(d_ij) / 4
+ + d_ij);
+ }
+
+ #pragma omp parallel for private(ii, iii, rx_i, rx_ii, rx_iii, tx_i, tx_ii, tx_iii, d_ij, d_iij, d_iijj, tdt_ij)
+ for (unsigned i = 0; i < n; i++) {
+ iii = gsl_permutation_get(indices2Right, i);
+ ii = gsl_permutation_get(indicesRight, i);
+
+ rx_i = gsl_vector_get(rx, i);
+ rx_ii = gsl_vector_get(rx, ii);
+ rx_iii = gsl_vector_get(rx, iii);
+ tx_i = gsl_vector_get(tx, i);
+ tx_ii = gsl_vector_get(tx, ii);
+ tx_iii = gsl_vector_get(tx, iii);
+ d_ij = gsl_matrix_get(dists, i, ii);
+ d_iij = gsl_matrix_get(dists, i, iii);
+ d_iijj = gsl_matrix_get(dists, ii, iii);
+ tdt_ij = gsl_matrix_get(tdots, i, iii);
+
+ gsl_vector_set(v_storage, i, gsl_vector_get(v_storage, i)
+ - 3 * gsl_pow_2(rx_iii - rx_i) * tdt_ij * gsl_pow_5(d_iij) / 16
+ + (tx_iii + tx_i) * (rx_iii - rx_i) * gsl_pow_3(d_iij) / 4
+ + tdt_ij * gsl_pow_3(d_iij) / 4 - d_iij
+ - (tx_ii - tx_iii) * (rx_ii - rx_iii) * gsl_pow_3(d_iijj) / 4 + d_iijj);
+ }
+
+ gsl_matrix_set(hess, n - 1, 0,
+ - gsl_vector_get(v_storage, 0) - 2 * ld[n - 1]);
+
+ #pragma omp parallel for
+ for (unsigned i = 1; i < n; i++) {
+ gsl_matrix_set(hess, i, i - 1,
+ - gsl_vector_get(v_storage, i) - 2 * ld[i - 1]
+ );
+ }
+
+
+ gsl_blas_dgemv(CblasNoTrans, 1, m_dyidyii, v_ones, 0, v_storage);
+
+ #pragma omp parallel for private(ii, ry_i, ry_ii, ty_i, ty_ii, d_ij)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+
+ ry_i = gsl_vector_get(ry, i);
+ ry_ii = gsl_vector_get(ry, ii);
+ ty_i = gsl_vector_get(ty, i);
+ ty_ii = gsl_vector_get(ty, ii);
+ d_ij = gsl_matrix_get(dists, i, ii);
+ gsl_vector_set(v_storage, i, gsl_vector_get(v_storage, i)
+ - (ry_ii - ry_i) * (ty_i - ty_ii) * gsl_pow_3(d_ij) / 4
+ + d_ij);
+ }
+
+ #pragma omp parallel for private(ii, iii, ry_i, ry_ii, ry_iii, ty_i, ty_ii, ty_iii, d_ij, d_iij, d_iijj, tdt_ij)
+ for (unsigned i = 0; i < n; i++) {
+ iii = gsl_permutation_get(indices2Right, i);
+ ii = gsl_permutation_get(indicesRight, i);
+
+ ry_i = gsl_vector_get(ry, i);
+ ry_ii = gsl_vector_get(ry, ii);
+ ry_iii = gsl_vector_get(ry, iii);
+ ty_i = gsl_vector_get(ty, i);
+ ty_ii = gsl_vector_get(ty, ii);
+ ty_iii = gsl_vector_get(ty, iii);
+ d_ij = gsl_matrix_get(dists, i, ii);
+ d_iij = gsl_matrix_get(dists, i, iii);
+ d_iijj = gsl_matrix_get(dists, ii, iii);
+ tdt_ij = gsl_matrix_get(tdots, i, iii);
+
+ gsl_vector_set(v_storage, i, gsl_vector_get(v_storage, i)
+ - 3 * gsl_pow_2(ry_iii - ry_i) * tdt_ij * gsl_pow_5(d_iij) / 16
+ + (ty_iii + ty_i) * (ry_iii - ry_i) * gsl_pow_3(d_iij) / 4
+ + tdt_ij * gsl_pow_3(d_iij) / 4 - d_iij
+ - (ty_ii - ty_iii) * (ry_ii - ry_iii) * gsl_pow_3(d_iijj) / 4 + d_iijj);
+ }
+
+ #pragma omp parallel for
+ for (unsigned i = 1; i < n; i++) {
+ gsl_matrix_set(hess, n + i, n + i - 1,
+ - gsl_vector_get(v_storage, i) - 2 * ld[i - 1]
+ );
+ }
+
+ gsl_matrix_set(hess, 2 * n -1, n,
+ - gsl_vector_get(v_storage, 0) - 2 * ld[n-1]);
+
+
+ // dxdy boring style
+ #pragma omp parallel for
+ for (unsigned j = 2; j < n; j++) {
+ for (unsigned i = 0; i < j - 1; i++) {
+ gsl_matrix_set(hess, n + j, i,
+ - gsl_matrix_get(m_dxidyj, i, j));
+ }
+ }
+
+ #pragma omp parallel for
+ for (unsigned j = 0; j < n - 2; j++) {
+ for (unsigned i = j + 2; i < n; i++) {
+ gsl_matrix_set(hess, n + j, i,
+ - gsl_matrix_get(m_dxidyj, i, j));
+ }
+ }
+
+ // d^2E / dx_i dy_i
+
+ gsl_blas_dgemv(CblasNoTrans, 1, m_dxidyi, v_ones, 0, v_storage);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ gsl_matrix_set(hess, n + i, i,
+ - gsl_vector_get(v_storage, i)
+ );
+ }
+
+ // d^2 E / dx_ii dy_i
+
+ gsl_blas_dgemv(CblasNoTrans, 1, m_dxiidyi, v_ones, 0, v_storage);
+
+ #pragma omp parallel for private(ii, iii, rx_i, rx_ii, rx_iii, tx_i, tx_ii, tx_iii, ry_i, ry_ii, ry_iii, ty_i, ty_ii, ty_iii, d_ij, d_iij, d_iijj, tdt_iij)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+ iii = gsl_permutation_get(indices2Right, i);
+
+ rx_i = gsl_vector_get(rx, i);
+ rx_ii = gsl_vector_get(rx, ii);
+ rx_iii = gsl_vector_get(rx, iii);
+ tx_i = gsl_vector_get(tx, i);
+ tx_ii = gsl_vector_get(tx, ii);
+ tx_iii = gsl_vector_get(tx, iii);
+ ry_i = gsl_vector_get(ry, i);
+ ry_ii = gsl_vector_get(ry, ii);
+ ry_iii = gsl_vector_get(ry, iii);
+ ty_i = gsl_vector_get(ty, i);
+ ty_ii = gsl_vector_get(ty, ii);
+ ty_iii = gsl_vector_get(ty, iii);
+
+ d_ij = gsl_matrix_get(dists, i, ii);
+ d_iij = gsl_matrix_get(dists, i, iii);
+ d_iijj = gsl_matrix_get(dists, ii, iii);
+ tdt_iij = gsl_matrix_get(tdots, i, iii);
+
+ gsl_vector_set(v_storage, i, gsl_vector_get(v_storage, i)
+ - (rx_ii - rx_i) * (ty_i - ty_ii) * gsl_pow_3(d_ij) / 4
+ - 3 * (rx_iii - rx_i) * (ry_iii - ry_i) * tdt_iij * gsl_pow_5(d_iij) / 16
+ + (rx_iii - rx_i) * ty_iii * gsl_pow_3(d_iij) / 4
+ + (ry_iii - ry_i) * tx_i * gsl_pow_3(d_iij) / 4
+ - (tx_ii - tx_iii) * (ry_ii - ry_iii) * gsl_pow_3(d_iijj) / 4
+ );
+ }
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n - 1; i++) {
+ gsl_matrix_set(hess, n + i + 1, i,
+ - gsl_vector_get(v_storage, i + 1) - la / 2
+ );
+ }
+
+ gsl_matrix_set(hess, n, n - 1,
+ -gsl_vector_get(v_storage, 0) - la / 2);
+
+ // Upper off-diagonal of dxdy submatrix.
+
+ gsl_blas_dgemv(CblasNoTrans, 1, m_dxidyii, v_ones, 0, v_storage);
+
+ #pragma omp parallel for private(ii, jj, rx_i, rx_ii, rx_jj, tx_i, tx_ii, tx_jj, ry_i, ry_ii, ry_jj, ty_i, ty_ii, ty_jj, d_ij, d_ijj, d_iijj, tdt_iijj)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+ jj = gsl_permutation_get(indicesLeft, i);
+
+ rx_i = gsl_vector_get(rx, i);
+ rx_ii = gsl_vector_get(rx, ii);
+ rx_jj = gsl_vector_get(rx, jj);
+ tx_i = gsl_vector_get(tx, i);
+ tx_ii = gsl_vector_get(tx, ii);
+ tx_jj = gsl_vector_get(tx, jj);
+ ry_i = gsl_vector_get(ry, i);
+ ry_ii = gsl_vector_get(ry, ii);
+ ry_jj = gsl_vector_get(ry, jj);
+ ty_i = gsl_vector_get(ty, i);
+ ty_ii = gsl_vector_get(ty, ii);
+ ty_jj = gsl_vector_get(ty, jj);
+
+ d_ij = gsl_matrix_get(dists, i, ii);
+ d_ijj = gsl_matrix_get(dists, i, jj);
+ d_iijj = gsl_matrix_get(dists, ii, jj);
+ tdt_iijj = gsl_matrix_get(tdots, ii, jj);
+
+ gsl_vector_set(v_storage, i, gsl_vector_get(v_storage, i)
+ - (rx_i - rx_ii) * (ty_i - ty_ii) * gsl_pow_3(d_ij) / 4
+ - (tx_jj - tx_i) * (ry_i - ry_jj) * gsl_pow_3(d_ijj) / 4
+ + tx_ii * (ry_ii - ry_jj) * gsl_pow_3(d_iijj) / 4
+ - (rx_jj - rx_ii) * ty_jj * gsl_pow_3(d_iijj) / 4
+ + 3 * (rx_jj - rx_ii) * (ry_ii - ry_jj) * tdt_iijj * gsl_pow_5(d_iijj) / 16
+ );
+ }
+
+ gsl_matrix_set(hess, 2 * n - 1, 0,
+ - gsl_vector_get(v_storage, n - 1) + la / 2
+ );
+
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n-1; i++) {
+ gsl_matrix_set(hess, n + i, i + 1,
+ - gsl_vector_get(v_storage, i) + la / 2
+ );
+ }
+
+
+ // dLdL
+
+ double gradLDist = 0;
+ for (unsigned i = 0; i < n; i++) {
+ gradLDist += 2 * ld[i] / gsl_pow_2(n);
+ }
+
+ L = fabs(L);
+
+ double gradL = - 1 / L - gradLDist;
+
+ gsl_matrix_set(hess, 2 * n, 2 * n, gradL);
+
+ // dLdlambdad
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ gsl_matrix_set(hess, i + 2 * n + 2, 2 * n, - 2 * L / gsl_pow_2(n));
+ }
+
+ #pragma omp parallel for private(ii)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+
+ gsl_matrix_set(hess, 2 * n + 1, i, -
+ 0.5 * (gsl_vector_get(ty, i) + gsl_vector_get(ty, ii)));
+
+ gsl_matrix_set(hess, 2 * n + 1, n + i,
+ 0.5 * (gsl_vector_get(tx, i) + gsl_vector_get(tx, ii)));
+ }
+
+ #pragma omp parallel for private(ii)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+
+ gsl_matrix_set(hess, 2 * n + 2 + i, i, -
+ 2 * (gsl_vector_get(tx, i)));
+
+ gsl_matrix_set(hess, 2 * n + 2 + i, n + i, -
+ 2 * (gsl_vector_get(ty, i)));
+ }
+
+ #pragma omp parallel for private(ii)
+ for (unsigned i = 1; i < n; i++) {
+ ii = gsl_permutation_get(indicesRight, i);
+
+ gsl_matrix_set(hess, 2 * n + i + 1, i,
+ 2 * gsl_vector_get(tx, ii));
+
+ gsl_matrix_set(hess, 2 * n + i + 1, n + i,
+ 2 * gsl_vector_get(ty, ii));
+ }
+
+ gsl_matrix_set(hess, 3 * n + 1, 0,
+ 2 * gsl_vector_get(tx, n-1));
+ gsl_matrix_set(hess, 3 * n + 1, n,
+ 2 * gsl_vector_get(ty, n-1));
+
+
+ gsl_vector_free(v_ones);
+ gsl_vector_free(v_storage);
+
+ gsl_matrix_free(m_dxidxj);
+ gsl_matrix_free(m_dyidyj);
+ gsl_matrix_free(m_dxidxi);
+ gsl_matrix_free(m_dyidyi);
+ gsl_matrix_free(m_dxidxii);
+ gsl_matrix_free(m_dyidyii);
+ gsl_matrix_free(m_dxidyj);
+ gsl_matrix_free(m_dxidyi);
+ gsl_matrix_free(m_dxiidyi);
+ gsl_matrix_free(m_dxidyii);
+
+ gsl_permutation_free(indicesLeft);
+ gsl_permutation_free(indicesRight);
+ gsl_permutation_free(indices2Right);
+}
+
+
+double domain_energy_nakedEnergy(unsigned n, const gsl_vector *z, double c) {
+ double lagrangian;
+
+ gsl_vector *x, *y;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(y, i, gsl_vector_get(z, i + n));
+ double L = gsl_vector_get(z, 2 * n);
+
+ unsigned ii;
+
+ gsl_vector *rx, *ry, *tx, *ty;
+ gsl_matrix *tdots, *dists;
+
+ rx = gsl_vector_alloc(n);
+ ry = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ tdots = gsl_matrix_alloc(n, n);
+ dists = gsl_matrix_alloc(n, n);
+
+ domain_energy_rt(rx, n, x, 1);
+ domain_energy_rt(ry, n, y, 1);
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ domain_energy_tdots(tdots, n, tx, ty);
+ domain_energy_dists(dists, n, rx, ry);
+
+ lagrangian = domain_energy_energy(n, c, rx, ry, tx, ty, tdots, dists, L);
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(rx);
+ gsl_vector_free(ry);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+
+ gsl_matrix_free(tdots);
+ gsl_matrix_free(dists);
+
+ return lagrangian;
+};
+
+
+double domain_energy_nakedLagrangian(unsigned n, const gsl_vector *z, double c) {
+ double lagrangian;
+
+ gsl_vector *x, *y;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(y, i, gsl_vector_get(z, i + n));
+ double L = gsl_vector_get(z, 2 * n);
+ double la = gsl_vector_get(z, 2 * n + 1);
+ double ld[n];
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ ld[i] = gsl_vector_get(z, 2 * n + 2 + i);
+ }
+
+ unsigned ii;
+
+ gsl_vector *rx, *ry, *tx, *ty;
+ gsl_matrix *tdots, *dists;
+
+ rx = gsl_vector_alloc(n);
+ ry = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ tdots = gsl_matrix_alloc(n, n);
+ dists = gsl_matrix_alloc(n, n);
+
+ domain_energy_rt(rx, n, x, 1);
+ domain_energy_rt(ry, n, y, 1);
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ domain_energy_tdots(tdots, n, tx, ty);
+ domain_energy_dists(dists, n, rx, ry);
+
+ double area = domain_energy_area(n, x, y);
+
+ lagrangian = domain_energy_lagrangian(n, c, rx, ry, tx, ty, tdots, dists, L, area, la, ld);
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(rx);
+ gsl_vector_free(ry);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+
+ gsl_matrix_free(tdots);
+ gsl_matrix_free(dists);
+
+ return lagrangian;
+};
+
+
+void domain_energy_nakedGradient(gsl_vector *grad, unsigned n, const gsl_vector *z, double c) {
+
+ gsl_permutation *indices_right;
+ indices_right = gsl_permutation_alloc(n);
+
+ gsl_permutation_init(indices_right);
+ gsl_permutation_over(n, indices_right, true);
+
+ gsl_vector *x, *y;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+
+ // Setting pointers to give the elements of z more convenient names.
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(y, i, gsl_vector_get(z, i + n));
+ double L = gsl_vector_get(z, 2 * n);
+ double la = gsl_vector_get(z, 2 * n + 1);
+ double ld[n];
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ ld[i] = gsl_vector_get(z, 2 * n + 2 + i);
+ }
+
+ unsigned ii;
+
+ gsl_vector *rx, *ry, *tx, *ty;
+ gsl_matrix *tdots, *dists;
+
+ rx = gsl_vector_alloc(n);
+ ry = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ tdots = gsl_matrix_alloc(n, n);
+ dists = gsl_matrix_alloc(n, n);
+
+ domain_energy_rt(rx, n, x, 1);
+ domain_energy_rt(ry, n, y, 1);
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ domain_energy_tdots(tdots, n, tx, ty);
+ domain_energy_dists(dists, n, rx, ry);
+
+ double area = domain_energy_area(n, x, y);
+
+ domain_energy_gradient(grad, n, c, rx, ry, tx, ty, tdots, dists, L, area, la, ld);
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(rx);
+ gsl_vector_free(ry);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+ gsl_matrix_free(tdots);
+ gsl_matrix_free(dists);
+ gsl_permutation_free(indices_right);
+
+}
+
+
+void domain_energy_nakedHalfHessian(gsl_matrix *hess, unsigned n, const gsl_vector *z, double c) {
+
+ gsl_permutation *indices_right;
+ indices_right = gsl_permutation_alloc(n);
+
+ gsl_permutation_init(indices_right);
+ gsl_permutation_over(n, indices_right, true);
+
+ gsl_vector *x, *y;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+
+ // Setting pointers to give the elements of z more convenient names.
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(y, i, gsl_vector_get(z, i + n));
+ double L = gsl_vector_get(z, 2 * n);
+ double la = gsl_vector_get(z, 2 * n + 1);
+ double ld[n];
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ ld[i] = gsl_vector_get(z, 2 * n + 2 + i);
+ }
+
+ unsigned ii;
+
+ gsl_vector *rx, *ry, *tx, *ty;
+ gsl_matrix *tdots, *dists;
+
+ rx = gsl_vector_alloc(n);
+ ry = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ tdots = gsl_matrix_alloc(n, n);
+ dists = gsl_matrix_alloc(n, n);
+
+ domain_energy_rt(rx, n, x, 1);
+ domain_energy_rt(ry, n, y, 1);
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ domain_energy_tdots(tdots, n, tx, ty);
+ domain_energy_dists(dists, n, rx, ry);
+
+ double area = domain_energy_area(n, x, y);
+
+ domain_energy_halfHessian(hess, n, c, rx, ry, tx, ty, tdots, dists, L, la, ld);
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(rx);
+ gsl_vector_free(ry);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+ gsl_matrix_free(tdots);
+ gsl_matrix_free(dists);
+ gsl_permutation_free(indices_right);
+}
+
+
+void domain_energy_nakedHessian(gsl_matrix *hess, unsigned n, const gsl_vector *z, double c) {
+
+ domain_energy_nakedHalfHessian(hess, n, z, c);
+
+ #pragma omp parallel for
+ for (unsigned i = 1; i < 3 * n + 2; i++) {
+ for (unsigned j = 0; j < i; j++) {
+ gsl_matrix_set(hess, j, i, gsl_matrix_get(hess, i, j));
+ }
+ }
+}
+
+
+double domain_energy_fixedEnergy(unsigned n, const gsl_vector *z, double c) {
+ double lagrangian;
+
+ gsl_vector *x, *y;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ gsl_vector_set(y, 0, 0);
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n - 1; i++) gsl_vector_set(y, i + 1, gsl_vector_get(z, i + n));
+ double L = gsl_vector_get(z, 2 * n - 1);
+
+ unsigned ii;
+
+ gsl_vector *rx, *ry, *tx, *ty;
+ gsl_matrix *tdots, *dists;
+
+ rx = gsl_vector_alloc(n);
+ ry = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ tdots = gsl_matrix_alloc(n, n);
+ dists = gsl_matrix_alloc(n, n);
+
+ domain_energy_rt(rx, n, x, 1);
+ domain_energy_rt(ry, n, y, 1);
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ domain_energy_tdots(tdots, n, tx, ty);
+ domain_energy_dists(dists, n, rx, ry);
+
+ lagrangian = domain_energy_energy(n, c, rx, ry, tx, ty, tdots, dists, L);
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(rx);
+ gsl_vector_free(ry);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+
+ gsl_matrix_free(tdots);
+ gsl_matrix_free(dists);
+
+ return lagrangian;
+};
+
+
+// The fixed functions.
+
+double domain_energy_fixedLagrangian(unsigned n, const gsl_vector *z, double c) {
+ double lagrangian;
+
+ gsl_vector *x, *y;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ gsl_vector_set(y, 0, 0);
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n - 1; i++) gsl_vector_set(y, i + 1, gsl_vector_get(z, i + n));
+ double L = gsl_vector_get(z, 2 * n - 1);
+ double la = gsl_vector_get(z, 2 * n);
+ double ld[n];
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ ld[i] = gsl_vector_get(z, 2 * n + 1 + i);
+ }
+ double lx = gsl_vector_get(z, 3 * n + 1);
+ double ly = gsl_vector_get(z, 3 * n + 2);
+
+ unsigned ii;
+
+ gsl_vector *rx, *ry, *tx, *ty;
+ gsl_matrix *tdots, *dists;
+
+ rx = gsl_vector_alloc(n);
+ ry = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ tdots = gsl_matrix_alloc(n, n);
+ dists = gsl_matrix_alloc(n, n);
+
+ domain_energy_rt(rx, n, x, 1);
+ domain_energy_rt(ry, n, y, 1);
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ domain_energy_tdots(tdots, n, tx, ty);
+ domain_energy_dists(dists, n, rx, ry);
+
+ double area = domain_energy_area(n, x, y);
+
+ lagrangian = domain_energy_lagrangian(n, c, rx, ry, tx, ty, tdots, dists, L, area, la, ld);
+
+ double xtot = 0;
+ for (unsigned i = 0; i < n; i++) xtot += gsl_vector_get(z, i);
+
+ double ytot = 0;
+ for (unsigned i = 1; i < n; i++) ytot += gsl_vector_get(z, i + n - 1);
+
+ lagrangian += - lx * xtot - ly * ytot;
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(rx);
+ gsl_vector_free(ry);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+
+ gsl_matrix_free(tdots);
+ gsl_matrix_free(dists);
+
+ return lagrangian;
+};
+
+
+void domain_energy_fixedGradient(gsl_vector *grad, unsigned n, const gsl_vector *z,
+ double c) {
+
+ // Setting pointers to give the elements of z more convenient names.
+ double L = gsl_vector_get(z, 2 * n - 1);
+ double la = gsl_vector_get(z, 2 * n);
+ double ld[n];
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ ld[i] = gsl_vector_get(z, 2 * n + 1 + i);
+ }
+ double lx = gsl_vector_get(z, 3 * n + 1);
+ double ly = gsl_vector_get(z, 3 * n + 2);
+
+ unsigned ii;
+
+ gsl_vector *rx, *ry, *tx, *ty, *freegrad;
+ gsl_matrix *tdots, *dists;
+
+ rx = gsl_vector_alloc(n);
+ ry = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ tdots = gsl_matrix_alloc(n, n);
+ dists = gsl_matrix_alloc(n, n);
+
+ freegrad = gsl_vector_alloc(3 * n + 2);
+
+ double area = domain_energy_init(n, z, rx, ry, tx, ty, tdots, dists);
+
+ domain_energy_gradient(freegrad, n, c, rx, ry, tx, ty, tdots, dists, L, area, la, ld);
+
+ #pragma omp parallel for private(ii)
+ for (unsigned i =0; i < 3 * n + 2; i++) {
+ if (i != n) {
+ if (i < n) ii = i;
+ if (i > n) ii = i - 1;
+
+ gsl_vector_set(grad, ii, gsl_vector_get(freegrad, i));
+ }
+ }
+
+
+ #pragma omp parallel for private(ii)
+ for (unsigned i = 0; i < n; i++) {
+ gsl_vector_set(grad, i, gsl_vector_get(grad, i) - lx);
+ if (i != 0) gsl_vector_set(grad, n + i - 1, gsl_vector_get(grad, i + n - 1) -ly);
+ }
+
+
+ double xtot = 0;
+ for (unsigned i = 0; i < n; i++) xtot += gsl_vector_get(z, i);
+ double ytot = 0;
+ for (unsigned i = 1; i < n; i++) ytot += gsl_vector_get(z, i + n - 1);
+
+ gsl_vector_set(grad, 3 * n + 1, -xtot);
+
+ gsl_vector_set(grad, 3 * n + 2, -ytot);
+
+ gsl_vector_free(rx);
+ gsl_vector_free(ry);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+ gsl_vector_free(freegrad);
+ gsl_matrix_free(tdots);
+ gsl_matrix_free(dists);
+
+}
+
+
+void domain_energy_fixedHalfHessian(gsl_matrix *hess, unsigned n, const gsl_vector *z,
+ double c) {
+
+ // Setting pointers to give the elements of z more convenient names.
+ double L = gsl_vector_get(z, 2 * n - 1);
+ double la = gsl_vector_get(z, 2 * n);
+ double ld[n];
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ ld[i] = gsl_vector_get(z, 2 * n + 1 + i);
+ }
+ double lx = gsl_vector_get(z, 3 * n + 1);
+ double ly = gsl_vector_get(z, 3 * n + 2);
+
+ gsl_vector *rx, *ry, *tx, *ty;
+ gsl_matrix *tdots, *dists, *freehess;
+
+ rx = gsl_vector_alloc(n);
+ ry = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ tdots = gsl_matrix_alloc(n, n);
+ dists = gsl_matrix_alloc(n, n);
+
+ freehess = gsl_matrix_alloc(3 * n + 2, 3 * n + 2);
+
+ double area = domain_energy_init(n, z, rx, ry, tx, ty, tdots, dists);
+
+ domain_energy_halfHessian(freehess, n, c, rx, ry, tx, ty, tdots, dists, L, la, ld);
+
+ gsl_matrix *m_dxidxj, *m_dyidyj, *m_dxidxi, *m_dyidyi, *m_dxidxii,
+ *m_dyidyii, *m_dxidyj, *m_dxidyi, *m_dxiidyi, *m_dxidyii;
+ gsl_vector *v_ones, *v_storage;
+ gsl_permutation *indicesRight, *indicesLeft, *indices2Right;
+
+ unsigned ii, jj, iii;
+ double rx_i, rx_j, tx_i, tx_j, tdt_ij, d_ij, rx_ii, rx_jj, tx_ii, tx_jj,
+ ry_i, ry_j, ty_i, ty_j, ry_ii, ry_jj, ty_ii, ty_jj, tdt_iij, d_iij,
+ tdt_ijj, d_ijj, tdt_iijj, d_iijj, rx_iii, tx_iii, ry_iii, ty_iii,
+ d_ij3, d_iij3, d_ijj3, d_iijj3, d_ij5, d_iij5, d_ijj5, d_iijj5;
+
+ gsl_matrix_set_zero(hess);
+
+ #pragma omp parallel for private(ii, jj)
+ for (unsigned i = 0; i < 3 * n + 2; i++) {
+ if (i != n) {
+ if (i < n) ii = i;
+ if (i > n) ii = i - 1;
+ for (unsigned j = 0; j <= i; j++) {
+ if (j != n) {
+ if (j < n) jj = j;
+ if (j > n) jj = j - 1;
+
+ gsl_matrix_set(hess, ii, jj, gsl_matrix_get(freehess, i, j));
+ }
+ }
+ }
+ }
+
+ indicesRight = gsl_permutation_alloc(n);
+ indicesLeft = gsl_permutation_alloc(n);
+ indices2Right = gsl_permutation_alloc(n);
+
+ gsl_permutation_init(indicesRight);
+ gsl_permutation_init(indicesLeft);
+ gsl_permutation_over(n, indicesRight, true);
+ gsl_permutation_over(n, indicesLeft, false);
+ gsl_permutation_memcpy(indices2Right, indicesRight);
+ gsl_permutation_over(n, indices2Right, true);
+
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) {
+ gsl_matrix_set(hess, 3 * n + 1, i, -1);
+ if (i != 0) gsl_matrix_set(hess, 3 * n + 2, n + i - 1, -1);
+ }
+
+ gsl_vector_free(rx);
+ gsl_vector_free(ry);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+ gsl_matrix_free(tdots);
+ gsl_matrix_free(dists);
+ gsl_matrix_free(freehess);
+
+ gsl_permutation_free(indicesLeft);
+ gsl_permutation_free(indicesRight);
+ gsl_permutation_free(indices2Right);
+}
+
+
+void domain_energy_fixedHessian(gsl_matrix *hess, unsigned n, const gsl_vector *z,
+ double c) {
+
+ domain_energy_fixedHalfHessian(hess, n, z, c);
+
+ #pragma omp parallel for
+ for (unsigned i = 1; i < 3 * n + 3; i++) {
+ for (unsigned j = 0; j < i; j++) {
+ gsl_matrix_set(hess, j, i, gsl_matrix_get(hess, i, j));
+ }
+ }
+}
+
+
+// The random functions.
+
+double domain_energy_randEnergy(unsigned n, const gsl_vector *z,
+ unsigned ord, const gsl_vector *k, const gsl_vector *a,
+ const gsl_vector *phi) {
+
+ double energy;
+
+ gsl_vector *x, *y;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(y, i, gsl_vector_get(z, i + n));
+
+ unsigned ii;
+
+ gsl_vector *tx, *ty;
+
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ energy = 0;
+
+ for (unsigned i = 0; i < n; i++) {
+ for (unsigned j = 0; j < ord; j++) {
+ energy += gsl_vector_get(a, j) * gsl_sf_sin(gsl_vector_get(k, j) * gsl_vector_get(x, i) + gsl_vector_get(k, j + ord) * gsl_vector_get(y, i) + gsl_vector_get(phi, j)) * (gsl_vector_get(ty, i) / gsl_vector_get(k, j) - gsl_vector_get(tx, i) / gsl_vector_get(k, j + ord)) / 2;
+ }
+ }
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+
+ return energy;
+};
+
+
+void domain_energy_randGradient(gsl_vector *grad, unsigned n,
+ const gsl_vector *z, unsigned ord, const gsl_vector *k,
+ const gsl_vector *a, const gsl_vector *phi) {
+
+ gsl_permutation *indices_right;
+ indices_right = gsl_permutation_alloc(n);
+
+ gsl_permutation_init(indices_right);
+ gsl_permutation_over(n, indices_right, true);
+
+ gsl_vector *x, *y, *tx, *ty;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(y, i, gsl_vector_get(z, i + n));
+
+ unsigned ii;
+
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ double thesumx, thesumy, aj, kxj, kyj, phij, xi, yi, xii, yii, txi, tyi;
+
+ #pragma omp parallel for private(ii, xi, yi, xii, yii, txi, tyi, thesumx, thesumy, aj, kxj, kyj, phij)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_right, i);
+
+ xi = gsl_vector_get(x, i);
+ yi = gsl_vector_get(y, i);
+ xii = gsl_vector_get(x, ii);
+ yii = gsl_vector_get(y, ii);
+ txi = gsl_vector_get(tx, i);
+ tyi = gsl_vector_get(ty, i);
+
+ thesumx = 0;
+ thesumy = 0;
+
+ for (unsigned j = 0; j < ord; j++) {
+ aj = gsl_vector_get(a, j);
+ kxj = gsl_vector_get(k, j);
+ kyj = gsl_vector_get(k, ord + j);
+ phij = gsl_vector_get(phi, j);
+
+ thesumx += aj * (kxj * gsl_sf_cos(kxj * xi + kyj * yi + phij) * (tyi / kxj - txi / kyj) +
+ (gsl_sf_sin(kxj * xi + kyj * yi + phij) - gsl_sf_sin(kxj * xii + kyj * yii + phij)) / kyj);
+
+ thesumy += aj * (kyj * gsl_sf_cos(kxj * xi + kyj * yi + phij) * (tyi / kxj - txi / kyj) -
+ (gsl_sf_sin(kxj * xi + kyj * yi + phij) - gsl_sf_sin(kxj * xii + kyj * yii + phij)) / kxj);
+ }
+
+ gsl_vector_set(grad, i, gsl_vector_get(grad, i) + thesumx / 2);
+ gsl_vector_set(grad, n + i, gsl_vector_get(grad, n + i) + thesumy / 2);
+ }
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+ gsl_permutation_free(indices_right);
+}
+
+
+void domain_energy_randHalfHessian(gsl_matrix *hess, unsigned n,
+ const gsl_vector *z, unsigned ord, const gsl_vector *k, const gsl_vector *a,
+ const gsl_vector *phi) {
+
+ gsl_permutation *indices_right;
+ indices_right = gsl_permutation_alloc(n);
+
+ gsl_permutation_init(indices_right);
+ gsl_permutation_over(n, indices_right, true);
+
+ gsl_vector *x, *y, *tx, *ty;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(y, i, gsl_vector_get(z, i + n));
+
+ unsigned ii;
+
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ double thesumx, thesumy, thesumxy, thesumxx, thesumyy, thesumxxy, thesumxyy, aj, kxj, kyj, phij, xi, yi, xii, yii, txi, tyi;
+
+ #pragma omp parallel for private(ii, xi, yi, xii, yii, txi, tyi, thesumx, thesumy, thesumxy, thesumxx, thesumyy, thesumxxy, thesumxyy, aj, kxj, kyj, phij)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_right, i);
+
+ xi = gsl_vector_get(x, i);
+ yi = gsl_vector_get(y, i);
+ xii = gsl_vector_get(x, ii);
+ yii = gsl_vector_get(y, ii);
+ txi = gsl_vector_get(tx, i);
+ tyi = gsl_vector_get(ty, i);
+
+ thesumx = 0;
+ thesumy = 0;
+ thesumxy = 0;
+ thesumxx = 0;
+ thesumyy = 0;
+ thesumxxy = 0;
+ thesumxyy = 0;
+
+ for (unsigned j = 0; j < ord; j++) {
+ aj = gsl_vector_get(a, j);
+ kxj = gsl_vector_get(k, j);
+ kyj = gsl_vector_get(k, ord + j);
+ phij = gsl_vector_get(phi, j);
+
+ thesumx += aj * ( - gsl_pow_2(kxj) * gsl_sf_sin(kxj * xi + kyj * yi + phij) * (tyi / kxj - txi / kyj) +
+ 2 * gsl_sf_cos(kxj * xi + kyj * yi + phij) * kxj / kyj);
+
+ thesumy += aj * ( - gsl_pow_2(kyj) * gsl_sf_sin(kxj * xi + kyj * yi + phij) * (tyi / kxj - txi / kyj) -
+ 2 * gsl_sf_cos(kxj * xi + kyj * yi + phij) * kyj / kxj);
+
+ thesumxy += - aj * kxj * kyj * gsl_sf_sin(kxj * xi + kyj * yi + phij) * (tyi / kxj - txi / kyj);
+
+ thesumxx += - aj * gsl_sf_cos(kxj * xii + kyj * yii + phij) * kxj / kyj;
+
+ thesumyy += aj * gsl_sf_cos(kxj * xii + kyj * yii + phij) * kyj / kxj;
+
+ thesumxyy += - aj * gsl_sf_cos(kxj * xii + kyj * yii + phij);
+
+ thesumxxy += aj * gsl_sf_cos(kxj * xii + kyj * yii + phij);
+ }
+
+ gsl_matrix_set(hess, i, i, gsl_matrix_get(hess, i, i) + thesumx / 2);
+ gsl_matrix_set(hess, n + i, n + i, gsl_matrix_get(hess, n + i, n + i) + thesumy / 2);
+ gsl_matrix_set(hess, i + n, i, gsl_matrix_get(hess, n + i, i) + thesumxy / 2);
+ if (i == 0) {
+ gsl_matrix_set(hess, n - 1, 0, gsl_matrix_get(hess, n - 1, 0) + thesumxx / 2);
+ gsl_matrix_set(hess, 2 * n - 1, n, gsl_matrix_get(hess, 2 * n - 1, n) + thesumyy / 2);
+ } else {
+ gsl_matrix_set(hess, i, ii, gsl_matrix_get(hess, i, ii) + thesumxx / 2);
+ gsl_matrix_set(hess, n + i, n + ii, gsl_matrix_get(hess, n + i, n + ii) + thesumyy / 2);
+ }
+ gsl_matrix_set(hess, n + i, ii, gsl_matrix_get(hess, n + i, ii) + thesumxxy / 2);
+ gsl_matrix_set(hess, n + ii, i, gsl_matrix_get(hess, n + ii, i) + thesumxyy / 2);
+ }
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+ gsl_permutation_free(indices_right);
+}
+
+
+// The random naked functions.
+
+double domain_energy_nakedRandLagrangian(unsigned n, const gsl_vector *z,
+ double c, unsigned ord, const gsl_vector *k, const gsl_vector *a,
+ const gsl_vector *phi) {
+
+ double lagrangian, randEnergy;
+
+ lagrangian = domain_energy_nakedLagrangian(n, z, c);
+ randEnergy = domain_energy_randEnergy(n, z, ord, k, a, phi);
+
+ return lagrangian + randEnergy;
+}
+
+
+void domain_energy_nakedRandGradient(gsl_vector *grad, unsigned n,
+ const gsl_vector *z, double c, unsigned ord, const gsl_vector *k,
+ const gsl_vector *a, const gsl_vector *phi) {
+
+ domain_energy_nakedGradient(grad, n, z, c);
+ domain_energy_randGradient(grad, n, z, ord, k, a, phi);
+}
+
+
+void domain_energy_nakedRandHessian(gsl_matrix *hess, unsigned n,
+ const gsl_vector *z, double c, unsigned ord, const gsl_vector *k,
+ const gsl_vector *a, const gsl_vector *phi) {
+
+ domain_energy_nakedHalfHessian(hess, n, z, c);
+ domain_energy_randHalfHessian(hess, n, z, ord, k, a, phi);
+
+ #pragma omp parallel for
+ for (unsigned i = 1; i < 3 * n + 2; i++) {
+ for (unsigned j = 0; j < i; j++) {
+ gsl_matrix_set(hess, j, i, gsl_matrix_get(hess, i, j));
+ }
+ }
+}
+
+
+// The well functions.
+
+double domain_energy_wellEnergy(unsigned n, const gsl_vector *z, double w,
+ double s) {
+
+ double xi, yi, txi, tyi, energy;
+ gsl_vector *x, *y, *tx, *ty;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(y, i,
+ gsl_vector_get(z, i + n));
+
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ energy = 0;
+
+ for (unsigned i = 0; i < n; i++) {
+ xi = gsl_vector_get(x, i);
+ yi = gsl_vector_get(y, i);
+ txi = gsl_vector_get(tx, i);
+ tyi = gsl_vector_get(ty, i);
+
+ energy += ((gsl_sf_exp(s * (xi - w)) - gsl_sf_exp(-s * (xi + w))) * tyi -
+ (gsl_sf_exp(s * (yi - w)) - gsl_sf_exp(-s * (yi + w))) * txi) / s;
+ }
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+
+ return energy;
+};
+
+
+void domain_energy_wellGradient(gsl_vector *grad, unsigned n,
+ const gsl_vector *z, double w, double s) {
+
+ unsigned ii;
+ double xi, yi, xii, yii, txi, tyi, grad_xi, grad_yi;
+ gsl_vector *x, *y, *tx, *ty;
+ gsl_permutation *indices_right;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+ indices_right = gsl_permutation_alloc(n);
+
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ #pragma omp parallel for
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(y, i, gsl_vector_get(z, i + n));
+
+ gsl_permutation_init(indices_right);
+ gsl_permutation_over(n, indices_right, true);
+
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+
+ #pragma omp parallel for private(ii, xi, yi, xii, yii, txi, tyi, grad_xi,\
+ grad_yi)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_right, i);
+
+ xi = gsl_vector_get(x, i);
+ yi = gsl_vector_get(y, i);
+ xii = gsl_vector_get(x, ii);
+ yii = gsl_vector_get(y, ii);
+ txi = gsl_vector_get(tx, i);
+ tyi = gsl_vector_get(ty, i);
+
+ grad_xi = tyi * (gsl_sf_exp(s * (xi - w)) + gsl_sf_exp(-s * (xi + w))) +
+ (gsl_sf_exp(s * (yi - w)) - gsl_sf_exp(-s * (yi + w)) -
+ gsl_sf_exp(s * (yii - w)) + gsl_sf_exp(-s * (yii + w))) / s;
+
+ grad_yi = - txi * (gsl_sf_exp(s * (yi - w)) + gsl_sf_exp(-s * (yi + w))) +
+ (- gsl_sf_exp(s * (xi - w)) + gsl_sf_exp(-s * (xi + w)) +
+ gsl_sf_exp(s * (xii - w)) - gsl_sf_exp(-s * (xii + w))) / s;
+
+ gsl_vector_set(grad, i, gsl_vector_get(grad, i) + grad_xi);
+
+ gsl_vector_set(grad, n + i, gsl_vector_get(grad, n + i) + grad_yi);
+ }
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+ gsl_permutation_free(indices_right);
+}
+
+
+void domain_energy_wellHalfHessian(gsl_matrix *hess, unsigned n,
+ const gsl_vector *z, double w, double s) {
+
+ unsigned ii;
+ double xi, yi, xii, yii, txi, tyi, hess_xi, hess_yi, hess_xiyi, hess_xiiyi,
+ hess_xiyii, exp_mxi, exp_pxi, exp_myi, exp_pyi, exp_mxii, exp_myii,
+ exp_pxii, exp_pyii;
+ gsl_vector *x, *y, *tx, *ty;
+ gsl_permutation *indices_right;
+
+ x = gsl_vector_alloc(n);
+ y = gsl_vector_alloc(n);
+ tx = gsl_vector_alloc(n);
+ ty = gsl_vector_alloc(n);
+ indices_right = gsl_permutation_alloc(n);
+
+ for (unsigned i = 0; i < n; i++) gsl_vector_set(x, i, gsl_vector_get(z, i));
+ for (unsigned i = 0; i < n; i++) {
+ gsl_vector_set(y, i, gsl_vector_get(z, i + n));
+ }
+
+ domain_energy_rt(tx, n, x, -1);
+ domain_energy_rt(ty, n, y, -1);
+
+ gsl_permutation_init(indices_right);
+ gsl_permutation_over(n, indices_right, true);
+
+ #pragma omp parallel for private(ii, xi, yi, xii, yii, txi, tyi, hess_xi,\
+ hess_yi, hess_xiyi, hess_xiiyi, hess_xiyii, exp_mxi, exp_pxi, exp_myi,\
+ exp_pyi, exp_mxii, exp_myii, exp_pxii, exp_pyii)
+ for (unsigned i = 0; i < n; i++) {
+ ii = gsl_permutation_get(indices_right, i);
+
+ xi = gsl_vector_get(x, i);
+ yi = gsl_vector_get(y, i);
+ xii = gsl_vector_get(x, ii);
+ yii = gsl_vector_get(y, ii);
+ txi = gsl_vector_get(tx, i);
+ tyi = gsl_vector_get(ty, i);
+ exp_mxi = gsl_sf_exp(-s * (xi + w));
+ exp_pxi = gsl_sf_exp(s * (xi - w));
+ exp_myi = gsl_sf_exp(-s * (yi + w));
+ exp_pyi = gsl_sf_exp(s * (yi - w));
+ exp_mxii = gsl_sf_exp(-s * (xii + w));
+ exp_pxii = gsl_sf_exp(s * (xii - w));
+ exp_myii = gsl_sf_exp(-s * (yii + w));
+ exp_pyii = gsl_sf_exp(s * (yii - w));
+
+ hess_xi = tyi * s * (exp_pxi - exp_mxi);
+ hess_yi = - txi * s * (exp_pyi - exp_myi);
+
+ hess_xiyi = - exp_pxi - exp_mxi + exp_pyi + exp_myi;
+
+ hess_xiyii = - exp_pyii - exp_myii;
+ hess_xiiyi = exp_pxii + exp_mxii;
+
+ gsl_matrix_set(hess, i, i, gsl_matrix_get(hess, i, i) + hess_xi);
+ gsl_matrix_set(hess, n + i, n + i, gsl_matrix_get(hess, n + i, n + i) +
+ hess_yi);
+ gsl_matrix_set(hess, i + n, i, gsl_matrix_get(hess, n + i, i) + hess_xiyi);
+ gsl_matrix_set(hess, n + i, ii, gsl_matrix_get(hess, n + i, ii) +
+ hess_xiiyi);
+ gsl_matrix_set(hess, n + ii, i, gsl_matrix_get(hess, n + ii, i) +
+ hess_xiyii);
+ }
+
+ gsl_vector_free(x);
+ gsl_vector_free(y);
+ gsl_vector_free(tx);
+ gsl_vector_free(ty);
+ gsl_permutation_free(indices_right);
+}
+
+
+// The naked well functions.
+
+double domain_energy_nakedWellLagrangian(unsigned n, const gsl_vector *z,
+ double c, double w, double s) {
+
+ double nakedLagrangian, wellEnergy;
+
+ nakedLagrangian = domain_energy_nakedLagrangian(n, z, c);
+ wellEnergy = domain_energy_wellEnergy(n, z, w, s);
+
+ return nakedLagrangian + wellEnergy;
+}
+
+
+void domain_energy_nakedWellGradient(gsl_vector *grad, unsigned n,
+ const gsl_vector *z, double c, double w, double s) {
+
+ domain_energy_nakedGradient(grad, n, z, c);
+ domain_energy_wellGradient(grad, n, z, w, s);
+}
+
+
+void domain_energy_nakedWellHessian(gsl_matrix *hess, unsigned n,
+ const gsl_vector *z, double c, double w, double s) {
+
+ domain_energy_nakedHalfHessian(hess, n, z, c);
+ domain_energy_wellHalfHessian(hess, n, z, w, s);
+
+ #pragma omp parallel for
+ for (unsigned i = 1; i < 3 * n + 2; i++) {
+ for (unsigned j = 0; j < i; j++) {
+ gsl_matrix_set(hess, j, i, gsl_matrix_get(hess, i, j));
+ }
+ }
+}
+
+
+// The random well functions.
+
+double domain_energy_randWellLagrangian(unsigned n, const gsl_vector *z,
+ double c, unsigned ord, const gsl_vector *k, const gsl_vector *a,
+ const gsl_vector *phi, double w, double s) {
+
+ double lagrangian, randEnergy, wellEnergy;
+
+ lagrangian = domain_energy_nakedLagrangian(n, z, c);
+ randEnergy = domain_energy_randEnergy(n, z, ord, k, a, phi);
+ wellEnergy = domain_energy_wellEnergy(n, z, w, s);
+
+ return lagrangian + randEnergy + wellEnergy;
+}
+
+
+void domain_energy_randWellGradient(gsl_vector *grad, unsigned n,
+ const gsl_vector *z, double c, unsigned ord, const gsl_vector *k,
+ const gsl_vector *a, const gsl_vector *phi, double w, double s) {
+
+ domain_energy_nakedGradient(grad, n, z, c);
+ domain_energy_randGradient(grad, n, z, ord, k, a, phi);
+ domain_energy_wellGradient(grad, n, z, w, s);
+}
+
+
+void domain_energy_randWellHessian(gsl_matrix *hess, unsigned n,
+ const gsl_vector *z, double c, unsigned ord, const gsl_vector *k,
+ const gsl_vector *a, const gsl_vector *phi, double w, double s) {
+
+ domain_energy_nakedHalfHessian(hess, n, z, c);
+ domain_energy_randHalfHessian(hess, n, z, ord, k, a, phi);
+ domain_energy_wellHalfHessian(hess, n, z, w, s);
+
+ #pragma omp parallel for
+ for (unsigned i = 1; i < 3 * n + 2; i++) {
+ for (unsigned j = 0; j < i; j++) {
+ gsl_matrix_set(hess, j, i, gsl_matrix_get(hess, i, j));
+ }
+ }
+}