diff --git a/PuReMD/src/io_tools.c b/PuReMD/src/io_tools.c index 3de8f824e93d3e3600ab97bbc044af4adc21aa7a..eaa5503cb32c2bd88c82ed1dab1ba8dfd359585b 100644 --- a/PuReMD/src/io_tools.c +++ b/PuReMD/src/io_tools.c @@ -718,21 +718,20 @@ void Print_Sparse_Matrix( reax_system *system, sparse_matrix *A ) void Print_Sparse_Matrix2( reax_system *system, sparse_matrix *A, char *fname ) { int i, j; - //FILE *f = fopen( "water_6540_p64_cm.txt", "w" ); + FILE *f = sfopen( fname, "w", "Print_Sparse_Matrix2" ); if( system->my_rank == 0 ) { - for ( i = 0; i < A->NT; ++i ) - { + for ( i = 0; i < A->n; ++i ) for ( j = A->start[i]; j < A->end[i]; ++j ) - { - fprintf( stdout, "%d %d %.15e\n", - i + 1, A->entries[j].j + 1, A->entries[j].val ); - } - } + fprintf( f, "%d %d %.15e\n", + system->my_atoms[i].orig_id, + system->my_atoms[A->entries[j].j].orig_id, + A->entries[j].val ); + } - //fclose( f ); + sfclose( f, "Print_Sparse_Matrix2" ); }