/* Copyright (C) 1999, 2000, 2001, 2002, Massachusetts Institute of Technology. * * 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 2 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, write to the Free Software * Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA */ #ifndef MAXWELL_H #define MAXWELL_H #include #include #if defined(HAVE_LIBFFTW) # include # include # ifdef HAVE_MPI # include # include # endif #elif defined(HAVE_LIBDFFTW) # include # include # ifdef HAVE_MPI # include # include # endif #elif defined(HAVE_LIBSFFTW) # include # include # ifdef HAVE_MPI # include # include # endif #endif #if defined(HAVE_LIBFFTW) || defined(HAVE_LIBDFFTW) || defined(HAVE_LIBSFFTW) # define HAVE_FFTW 1 #endif /* This data structure is designed to hold k+G related data at a given point. kmag is the length of the k+G vector. The m and n vectors are orthonormal vectors orthogonal to (kx,ky,kz). These are used as the basis for the H vector (to maintain transversality). */ typedef struct { real kmag; real mx, my, mz; real nx, ny, nz; } k_data; /* Data structure to hold the upper triangle of a symmetric real matrix or possibly a Hermitian complex matrix (e.g. the dielectric tensor). */ typedef struct { #ifdef WITH_HERMITIAN_EPSILON real m00, m11, m22; scalar_complex m01, m02, m12; #else real m00, m01, m02, m11, m12, m22; #endif } symmetric_matrix; #ifdef WITH_HERMITIAN_EPSILON # define DIAG_SYMMETRIC_MATRIX(m) ((m).m01.re == 0.0 && (m).m01.im == 0.0 && \ (m).m02.re == 0.0 && (m).m02.im == 0.0 && \ (m).m12.re == 0.0 && (m).m12.im == 0.0) #else # define DIAG_SYMMETRIC_MATRIX(m) ((m).m01 == 0.0 && \ (m).m02 == 0.0 && \ (m).m12 == 0.0) #endif #define NO_PARITY (0) #define EVEN_Z_PARITY (1<<0) #define ODD_Z_PARITY (1<<1) #define EVEN_Y_PARITY (1<<2) #define ODD_Y_PARITY (1<<3) typedef struct { int nx, ny, nz; int local_nx, local_ny; int local_x_start, local_y_start; int last_dim, last_dim_size, other_dims; int num_bands; int N, local_N, N_start, alloc_N; int fft_output_size; int max_fft_bands, num_fft_bands; real current_k[3]; /* (in cartesian basis) */ int parity; #ifdef HAVE_FFTW # ifdef HAVE_MPI # ifdef SCALAR_COMPLEX fftwnd_mpi_plan plan, iplan; # else rfftwnd_mpi_plan plan, iplan; # endif # else # ifdef SCALAR_COMPLEX fftwnd_plan plan, iplan; # else rfftwnd_plan plan, iplan; # endif # endif #endif scalar *fft_data; int zero_k; /* non-zero if k is zero (handled specially) */ k_data *k_plus_G; real *k_plus_G_normsqr; symmetric_matrix *eps_inv; real eps_inv_mean; } maxwell_data; extern maxwell_data *create_maxwell_data(int nx, int ny, int nz, int *local_N, int *N_start, int *alloc_N, int num_bands, int num_fft_bands); extern void destroy_maxwell_data(maxwell_data *d); extern void maxwell_set_num_bands(maxwell_data *d, int num_bands); extern void update_maxwell_data_k(maxwell_data *d, real k[3], real G1[3], real G2[3], real G3[3]); extern void set_maxwell_data_parity(maxwell_data *d, int parity); typedef void (*maxwell_dielectric_function) (symmetric_matrix *eps, symmetric_matrix *eps_inv, real r[3], void *epsilon_data); extern void set_maxwell_dielectric(maxwell_data *md, const int mesh_size[3], real R[3][3], real G[3][3], maxwell_dielectric_function epsilon, void *epsilon_data); extern void maxwell_sym_matrix_eigs(real eigs[3], const symmetric_matrix *V); extern void maxwell_sym_matrix_invert(symmetric_matrix *Vinv, const symmetric_matrix *V); extern void maxwell_compute_fft(int dir, maxwell_data *d, scalar *array, int howmany, int stride, int dist); extern void maxwell_compute_d_from_H(maxwell_data *d, evectmatrix Xin, scalar_complex *dfield, int cur_band_start, int cur_num_bands); extern void maxwell_compute_h_from_H(maxwell_data *d, evectmatrix Hin, scalar_complex *hfield, int cur_band_start, int cur_num_bands); extern void maxwell_compute_e_from_d(maxwell_data *d, scalar_complex *dfield, int cur_num_bands); extern void maxwell_vectorfield_otherhalf(maxwell_data *d, scalar_complex *field, real phasex,real phasey,real phasez); extern void maxwell_scalarfield_otherhalf(maxwell_data *d, real *field); void assign_symmatrix_vector(scalar_complex *newv, const symmetric_matrix matrix, const scalar_complex *oldv); extern void maxwell_operator(evectmatrix Xin, evectmatrix Xout, void *data, int is_current_eigenvector, evectmatrix Work); extern void maxwell_simple_precondition(evectmatrix X, void *data, real *eigenvals); extern void maxwell_preconditioner(evectmatrix Xin, evectmatrix Xout, void *data, evectmatrix Y, real *eigenvals, sqmatrix YtY); extern void maxwell_preconditioner2(evectmatrix Xin, evectmatrix Xout, void *data, evectmatrix Y, real *eigenvals, sqmatrix YtY); extern void maxwell_ucross_op(evectmatrix Xin, evectmatrix Xout, maxwell_data *d, const real u[3]); extern void maxwell_parity_constraint(evectmatrix X, void *data); extern void maxwell_zparity_constraint(evectmatrix X, void *data); extern void maxwell_yparity_constraint(evectmatrix X, void *data); extern int maxwell_zero_k_num_const_bands(evectmatrix X, maxwell_data *d); extern void maxwell_zero_k_set_const_bands(evectmatrix X, maxwell_data *d); extern void maxwell_zero_k_constraint(evectmatrix X, void *data); extern real *maxwell_zparity(evectmatrix X, maxwell_data *d); extern real *maxwell_yparity(evectmatrix X, maxwell_data *d); typedef struct { maxwell_data *d; real target_frequency; } maxwell_target_data; extern maxwell_target_data *create_maxwell_target_data(maxwell_data *d, real target_frequency); extern void destroy_maxwell_target_data(maxwell_target_data *d); extern void maxwell_target_operator1(evectmatrix Xin, evectmatrix Xout, void *data, int is_current_eigenvector, evectmatrix Work); extern void maxwell_target_operator(evectmatrix Xin, evectmatrix Xout, void *data, int is_current_eigenvector, evectmatrix Work); extern void maxwell_target_preconditioner(evectmatrix Xin, evectmatrix Xout, void *data, evectmatrix Y, real *eigenvals, sqmatrix YtY); extern void maxwell_target_preconditioner2(evectmatrix Xin, evectmatrix Xout, void *data, evectmatrix Y, real *eigenvals, sqmatrix YtY); extern void spherical_quadrature_points(real *x, real *y, real *z, real *weight, int num_sq_pts); extern int check_maxwell_dielectric(maxwell_data *d, int negative_epsilon_okp); #endif /* MAXWELL_H */