/* 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. */ /* * Gabor Csanyi, June 1999 * * header file for * * generalized I/O functions to handle serial and MPI in a unified way * * dft_fopen() * dft_fclose() * dft_fread() BUG: assumes data is type double * dft_fwrite() * */ #ifndef DFT_DFT_IO_H #define DFT_DFT_IO_H /* * dft_fopen() opens a file and returns the file pointer. arguments * are as in standard fopen(). If called in a serial context, it * simply executes a system fopen(). If called in an MPI context, it * executes a fopen() on the I/O node, and returns a NULL on all the * other nodes. */ FILE * dft_fopen(char *filename, char *access_string); /* * dft_fclose() closes the stream pointed to by its argument. if the * argument is NULL, it does nothing. */ void dft_fclose(FILE *stream); /* * dft_fwrite() called in a scalar context just does an fwrite(). in an * MPI context, it does an fwrite if executed in the I/O node, and nothing * on any other node. returns the number of bytes written. */ size_t dft_fwrite(const void *data, size_t size, size_t nmemb, FILE *stream); size_t dft_fread(void *data, size_t size, size_t nmemb, FILE *stream); /* Does a file flush */ int dft_fflush(FILE *stream); /* Does vfprintf */ int dft_vfprintf(FILE *stream, char *format, va_list ap); #endif // DFT_DFT_IO_H