/* 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 MPB_H #define MPB_H #include /* this integer flag is defined by main.c from libctl, and is set when the user runs the program with --verbose */ extern int verbose; #define MAX2(a,b) ((a) > (b) ? (a) : (b)) #define MIN2(a,b) ((a) < (b) ? (a) : (b)) #define TWOPI 6.2831853071795864769252867665590057683943388 /**************************************************************************/ extern void get_epsilon_file_func(const char *fname, maxwell_dielectric_function *func, void **func_data); extern void destroy_epsilon_file_func_data(void *func_data); extern real linear_interpolate(real rx, real ry, real rz, real *data, int nx, int ny, int nz, int stride); /**************************************************************************/ /* global variables for retaining data about the eigenvectors between calls from Guile: */ #define MAX_NWORK 10 extern int nwork_alloc; #define NUM_FFT_BANDS 20 /* max number of bands to FFT at a time */ extern maxwell_data *mdata; extern maxwell_target_data *mtdata; extern evectmatrix H, W[MAX_NWORK], Hblock; extern vector3 cur_kvector; extern scalar_complex *curfield; extern int curfield_band; extern char curfield_type; extern void curfield_reset(void); /* R[i]/G[i] are lattice/reciprocal-lattice vectors */ extern real R[3][3], G[3][3]; extern matrix3x3 Rm, Gm; /* same thing, but matrix3x3 */ extern real Vol; /* computational cell volume = |det Rm| */ /* index of current kpoint, for labeling output */ extern int kpoint_index; /**************************************************************************/ extern void vector3_to_arr(real arr[3], vector3 v); extern void matrix3x3_to_arr(real arr[3][3], matrix3x3 m); extern scalar_complex cnumber2cscalar(cnumber c); extern cnumber cscalar2cnumber(scalar_complex cs); extern cvector3 cscalar32cvector3(const scalar_complex *cs); extern void cvector32cscalar3(scalar_complex *cs, cvector3 v); /**************************************************************************/ extern void init_epsilon(void); extern const char *parity_string(maxwell_data *d); #endif /* MPB_H */