int matrix3x3_inverse(const matrix3x3* matrix, matrix3x3* result){
double det = matrix3x3_determinant(matrix);
if (det==0) return -1;
double invdet=1/det;
matrix3x3 matrix_t;
if (matrix==result){
matrix3x3_copy(matrix, &matrix_t);
matrix=&matrix_t;
}
result->m[0][0] = (matrix->m[1][1] * matrix->m[2][2] - matrix->m[2][1] * matrix->m[1][2]) * invdet;
result->m[0][1] = -(matrix->m[0][1] * matrix->m[2][2] - matrix->m[2][1] * matrix->m[0][2]) * invdet;
result->m[0][2] = (matrix->m[0][1] * matrix->m[1][2] - matrix->m[1][1] * matrix->m[0][2]) * invdet;
result->m[1][0] = -(matrix->m[1][0] * matrix->m[2][2] - matrix->m[2][0] * matrix->m[1][2]) * invdet;
result->m[1][1] = (matrix->m[0][0] * matrix->m[2][2] - matrix->m[2][0] * matrix->m[0][2]) * invdet;
result->m[1][2] = -(matrix->m[0][0] * matrix->m[1][2] - matrix->m[1][0] * matrix->m[0][2]) * invdet;
result->m[2][0] = (matrix->m[1][0] * matrix->m[2][1] - matrix->m[2][0] * matrix->m[1][1]) * invdet;
result->m[2][1] = -(matrix->m[0][0] * matrix->m[2][1] - matrix->m[2][0] * matrix->m[0][1]) * invdet;
result->m[2][2] = (matrix->m[0][0] * matrix->m[1][1] - matrix->m[1][0] * matrix->m[0][1]) * invdet;
return 0;
}
/* Initialize the dielectric function of the global mdata structure,
along with other geometry data. Should be called from init-params,
or in general when global input vars have been loaded and mdata
allocated. */
void init_epsilon(void)
{
int i;
int tree_depth, tree_nobjects;
number no_size;
no_size = 2.0 / ctl_get_number("infinity");
mpi_one_printf("Mesh size is %d.\n", mesh_size);
no_size_x = geometry_lattice.size.x <= no_size;
no_size_y = geometry_lattice.size.y <= no_size || dimensions < 2;
no_size_z = geometry_lattice.size.z <= no_size || dimensions < 3;
Rm.c0 = vector3_scale(no_size_x ? 1 : geometry_lattice.size.x,
geometry_lattice.basis.c0);
Rm.c1 = vector3_scale(no_size_y ? 1 : geometry_lattice.size.y,
geometry_lattice.basis.c1);
Rm.c2 = vector3_scale(no_size_z ? 1 : geometry_lattice.size.z,
geometry_lattice.basis.c2);
mpi_one_printf("Lattice vectors:\n");
mpi_one_printf(" (%g, %g, %g)\n", Rm.c0.x, Rm.c0.y, Rm.c0.z);
mpi_one_printf(" (%g, %g, %g)\n", Rm.c1.x, Rm.c1.y, Rm.c1.z);
mpi_one_printf(" (%g, %g, %g)\n", Rm.c2.x, Rm.c2.y, Rm.c2.z);
Vol = fabs(matrix3x3_determinant(Rm));
mpi_one_printf("Cell volume = %g\n", Vol);
Gm = matrix3x3_inverse(matrix3x3_transpose(Rm));
mpi_one_printf("Reciprocal lattice vectors (/ 2 pi):\n");
mpi_one_printf(" (%g, %g, %g)\n", Gm.c0.x, Gm.c0.y, Gm.c0.z);
mpi_one_printf(" (%g, %g, %g)\n", Gm.c1.x, Gm.c1.y, Gm.c1.z);
mpi_one_printf(" (%g, %g, %g)\n", Gm.c2.x, Gm.c2.y, Gm.c2.z);
if (eigensolver_nwork > MAX_NWORK) {
mpi_one_printf("(Reducing nwork = %d to maximum: %d.)\n",
eigensolver_nwork, MAX_NWORK);
eigensolver_nwork = MAX_NWORK;
}
matrix3x3_to_arr(R, Rm);
matrix3x3_to_arr(G, Gm);
/* we must do this to correct for a non-orthogonal lattice basis: */
geom_fix_objects();
mpi_one_printf("Geometric objects:\n");
if (mpi_is_master())
for (i = 0; i < geometry.num_items; ++i) {
display_geometric_object_info(5, geometry.items[i]);
if (geometry.items[i].material.which_subclass == MEDIUM)
printf("%*sepsilon = %g, mu = %g\n",
5 + 5, "",
geometry.items[i].material.
subclass.medium_data->epsilon,
geometry.items[i].material.
subclass.medium_data->mu);
}
destroy_geom_box_tree(geometry_tree); /* destroy any tree from
previous runs */
{
geom_box b0;
b0.low = vector3_plus(geometry_center,
vector3_scale(-0.5, geometry_lattice.size));
b0.high = vector3_plus(geometry_center,
vector3_scale(0.5, geometry_lattice.size));
/* pad tree boundaries to allow for sub-pixel averaging */
b0.low.x -= geometry_lattice.size.x / mdata->nx;
b0.low.y -= geometry_lattice.size.y / mdata->ny;
b0.low.z -= geometry_lattice.size.z / mdata->nz;
b0.high.x += geometry_lattice.size.x / mdata->nx;
b0.high.y += geometry_lattice.size.y / mdata->ny;
b0.high.z += geometry_lattice.size.z / mdata->nz;
geometry_tree = create_geom_box_tree0(geometry, b0);
}
if (verbose && mpi_is_master()) {
printf("Geometry object bounding box tree:\n");
display_geom_box_tree(5, geometry_tree);
}
geom_box_tree_stats(geometry_tree, &tree_depth, &tree_nobjects);
mpi_one_printf("Geometric object tree has depth %d and %d object nodes"
" (vs. %d actual objects)\n",
tree_depth, tree_nobjects, geometry.num_items);
reset_epsilon();
}
