/* DFT++ is a density functional package developed by the research group of Professor Tomas Arias Copyright 1996-2003 Sohrab Ismail-Beigi This file is part of DFT++. DFT++ 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. DFT++ 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 DFT++; if not, write to the Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA Please see the file CREDITS for a list of authors. For academic users, we request that publications using results obtained with this software reference "New algebraic formulation of density functional calculation," by Sohrab Ismail-Beigi and T.A. Arias, Computer Physics Communications 128:1-2, 1-45 (June 2000). and, if using the wavelet basis, further reference "Multiresolution analysis of electronic structure: semicardinal and wavelet bases," T.A. Arias, Reviews of Modern Physics 71:1, 267-311 (January 1999). and "Robust ab initio calculation of condensed matter: transparent convergence through semicardinal multiresolution analysis,'' I.P. Daykov, T.A. Arias, and Torkel D. Engeness, Physical Review Letters, 90:21, 216402 (May 2003). For your convenience, preprints of the above articles may be obtained from http://arXiv.org/abs/cond-mat/9909130, 9805262, and 0204411, respectively. */ #include "header.h" //ipd: think about better structure for the threaded part #ifdef DFT_THREAD static void* apply_L_thread(void *arg) { dft_thread_data *data = (dft_thread_data *)arg; ColumnBundle *in = (ColumnBundle *) data->p1; ColumnBundle *out = (ColumnBundle *) data->p2; int start_col = data->start; int ncols_todo = data->n; // do the work int i; for(i = start_col; i < start_col + ncols_todo; i++) apply_L(*in->col[i], *out->col[i]); return NULL; } #endif void L(const ColumnBundle &input, ColumnBundle &output) { #ifdef DFT_THREAD dft_call_threads(input.my_ncols, (void *)&input, (void *)&output, NULL, NULL, NULL, 0,0,0,0,0,0, apply_L_thread); #else int ii; for(ii=0;ii