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Will remove cpp and header files and make phreeqc an external directory. git-svn-id: svn://136.177.114.72/svn_GW/phreeqcpp/trunk@785 1feff8c3-07ed-0310-ac33-dd36852eb9cd
299 lines
15 KiB
C
299 lines
15 KiB
C
/*******************************************************************
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* *
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* File : dense.h *
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* Programmers : Scott D. Cohen, Alan C. Hindmarsh, and *
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* Radu Serban @ LLNL *
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* Version of : 26 June 2002 *
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*-----------------------------------------------------------------*
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* Copyright (c) 2002, The Regents of the University of California *
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* Produced at the Lawrence Livermore National Laboratory *
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* All rights reserved *
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* For details, see sundials/shared/LICENSE *
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*-----------------------------------------------------------------*
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* This is the header file for a generic DENSE linear solver *
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* package. The routines listed in this file all use type *
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* DenseMat, defined below, for matrices. These routines in turn *
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* call routines in the smalldense.h/smalldense.c module, which *
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* use the type realtype** for matrices. This separation allows *
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* for possible modifications in which matrices of type DenseMat *
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* may not be stored contiguously, while small matrices can still *
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* be treated with the routines in smalldense. *
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* *
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* Routines that work with the type DenseMat begin with "Dense". *
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* The DenseAllocMat function allocates a dense matrix for use in *
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* the other DenseMat routines listed in this file. Matrix *
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* storage details are given in the documentation for the type *
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* DenseMat. The DenseAllocPiv function allocates memory for *
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* pivot information. The storage allocated by DenseAllocMat and *
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* DenseAllocPiv is deallocated by the routines DenseFreeMat and *
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* DenseFreePiv, respectively. The DenseFactor and DenseBacksolve *
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* routines perform the actual solution of a dense linear system. *
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* *
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* Routines that work with realtype** begin with "den" (except for *
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* the factor and solve routines which are called gefa and gesl, *
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* respectively). The underlying matrix storage is described in *
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* the documentation for denalloc in smalldense.h *
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* *
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*******************************************************************/
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#ifdef PHREEQC_IDENT
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static char const svniddense[] = "$Id$";
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#endif
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#ifdef __cplusplus /* wrapper to enable C++ usage */
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extern "C" {
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#endif
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#ifndef _dense_h
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#define _dense_h
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#include "sundialstypes.h"
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#include "smalldense.h"
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/******************************************************************
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* *
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* Type: DenseMat *
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*----------------------------------------------------------------*
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* The type DenseMat is defined to be a pointer to a structure *
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* with a size and a data field. The size field indicates the *
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* number of columns (== number of rows) of a dense matrix, while *
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* the data field is a two dimensional array used for component *
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* storage. The elements of a dense matrix are stored columnwise *
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* (i.e columns are stored one on top of the other in memory). If *
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* A is of type DenseMat, then the (i,j)th element of A (with *
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* 0 <= i,j <= size-1) is given by the expression (A->data)[j][i] *
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* or by the expression (A->data)[0][j*n+i]. The macros below *
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* allow a user to access efficiently individual matrix *
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* elements without writing out explicit data structure *
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* references and without knowing too much about the underlying *
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* element storage. The only storage assumption needed is that *
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* elements are stored columnwise and that a pointer to the jth *
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* column of elements can be obtained via the DENSE_COL macro. *
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* Users should use these macros whenever possible. *
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* *
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******************************************************************/
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typedef struct _DenseMat {
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integertype size;
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realtype **data;
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} *DenseMat;
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/* DenseMat accessor macros */
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/******************************************************************
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* *
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* Macro : DENSE_ELEM *
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* Usage : DENSE_ELEM(A,i,j) = a_ij; OR *
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* a_ij = DENSE_ELEM(A,i,j); *
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*----------------------------------------------------------------*
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* DENSE_ELEM(A,i,j) references the (i,j)th element of the N by N *
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* DenseMat A, 0 <= i,j <= N-1. *
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* *
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******************************************************************/
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#define DENSE_ELEM(A,i,j) ((A->data)[j][i])
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/******************************************************************
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* *
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* Macro : DENSE_COL *
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* Usage : col_j = DENSE_COL(A,j); *
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*----------------------------------------------------------------*
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* DENSE_COL(A,j) references the jth column of the N by N *
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* DenseMat A, 0 <= j <= N-1. The type of the expression *
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* DENSE_COL(A,j) is realtype *. After the assignment in the usage*
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* above, col_j may be treated as an array indexed from 0 to N-1. *
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* The (i,j)th element of A is referenced by col_j[i]. *
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* *
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******************************************************************/
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#define DENSE_COL(A,j) ((A->data)[j])
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/* Functions that use the DenseMat representation for a dense matrix */
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/******************************************************************
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* *
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* Function : DenseAllocMat *
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* Usage : A = DenseAllocMat(N); *
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* if (A == NULL) ... memory request failed *
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*----------------------------------------------------------------*
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* DenseAllocMat allocates memory for an N by N dense matrix and *
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* returns the storage allocated (type DenseMat). DenseAllocMat *
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* returns NULL if the request for matrix storage cannot be *
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* satisfied. See the above documentation for the type DenseMat *
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* for matrix storage details. *
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* *
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******************************************************************/
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DenseMat DenseAllocMat(integertype N);
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/******************************************************************
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* *
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* Function : DenseAllocPiv *
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* Usage : p = DenseAllocPiv(N); *
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* if (p == NULL) ... memory request failed *
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*----------------------------------------------------------------*
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* DenseAllocPiv allocates memory for pivot information to be *
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* filled in by the DenseFactor routine during the factorization *
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* of an N by N dense matrix. The underlying type for pivot *
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* information is an array of N integers and this routine returns *
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* the pointer to the memory it allocates. If the request for *
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* pivot storage cannot be satisfied, DenseAllocPiv returns NULL. *
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* *
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******************************************************************/
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integertype *DenseAllocPiv(integertype N);
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/******************************************************************
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* *
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* Function : DenseFactor *
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* Usage : ier = DenseFactor(A, p); *
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* if (ier != 0) ... A is singular *
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*----------------------------------------------------------------*
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* DenseFactor performs the LU factorization of the N by N dense *
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* matrix A. This is done using standard Gaussian elimination *
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* with partial pivoting. *
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* *
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* A successful LU factorization leaves the matrix A and the *
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* pivot array p with the following information: *
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* *
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* (1) p[k] contains the row number of the pivot element chosen *
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* at the beginning of elimination step k, k=0, 1, ..., N-1. *
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* *
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* (2) If the unique LU factorization of A is given by PA = LU, *
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* where P is a permutation matrix, L is a lower triangular *
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* matrix with all 1's on the diagonal, and U is an upper *
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* triangular matrix, then the upper triangular part of A *
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* (including its diagonal) contains U and the strictly lower *
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* triangular part of A contains the multipliers, I-L. *
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* *
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* DenseFactor returns 0 if successful. Otherwise it encountered *
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* a zero diagonal element during the factorization. In this case *
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* it returns the column index (numbered from one) at which *
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* it encountered the zero. *
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* *
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******************************************************************/
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integertype DenseFactor(DenseMat A, integertype *p);
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/******************************************************************
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* *
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* Function : DenseBacksolve *
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* Usage : DenseBacksolve(A, p, b); *
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*----------------------------------------------------------------*
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* DenseBacksolve solves the N-dimensional system A x = b using *
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* the LU factorization in A and the pivot information in p *
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* computed in DenseFactor. The solution x is returned in b. This *
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* routine cannot fail if the corresponding call to DenseFactor *
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* did not fail. *
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* *
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******************************************************************/
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void DenseBacksolve(DenseMat A, integertype *p, realtype *b);
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/******************************************************************
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* *
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* Function : DenseZero *
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* Usage : DenseZero(A); *
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*----------------------------------------------------------------*
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* DenseZero sets all the elements of the N by N matrix A to 0.0. *
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* *
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******************************************************************/
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void DenseZero(DenseMat A);
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/******************************************************************
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* *
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* Function : DenseCopy *
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* Usage : DenseCopy(A, B); *
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*----------------------------------------------------------------*
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* DenseCopy copies the contents of the N by N matrix A into the *
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* N by N matrix B. *
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* *
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******************************************************************/
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void DenseCopy(DenseMat A, DenseMat B);
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/******************************************************************
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* *
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* Function: DenseScale *
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* Usage : DenseScale(c, A); *
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*----------------------------------------------------------------*
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* DenseScale scales the elements of the N by N matrix A by the *
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* constant c and stores the result back in A. *
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* *
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******************************************************************/
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void DenseScale(realtype c, DenseMat A);
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/******************************************************************
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* *
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* Function : DenseAddI *
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* Usage : DenseAddI(A); *
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*----------------------------------------------------------------*
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* DenseAddI adds the identity matrix to A and stores the result *
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* back in A. *
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* *
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******************************************************************/
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void DenseAddI(DenseMat A);
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/******************************************************************
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* *
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* Function : DenseFreeMat *
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* Usage : DenseFreeMat(A); *
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*----------------------------------------------------------------*
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* DenseFreeMat frees the memory allocated by DenseAllocMat for *
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* the N by N matrix A. *
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* *
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******************************************************************/
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void DenseFreeMat(DenseMat A);
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/******************************************************************
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* *
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* Function : DenseFreePiv *
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* Usage : DenseFreePiv(p); *
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*----------------------------------------------------------------*
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* DenseFreePiv frees the memory allocated by DenseAllocPiv for *
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* the pivot information array p. *
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* *
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******************************************************************/
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void DenseFreePiv(integertype *p);
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/******************************************************************
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* *
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* Function : DensePrint *
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* Usage : DensePrint(A); *
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*----------------------------------------------------------------*
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* This routine prints the N by N dense matrix A to standard *
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* output as it would normally appear on paper. It is intended *
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* as a debugging tool with small values of N. The elements are *
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* printed using the %g option. A blank line is printed before *
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* and after the matrix. *
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* *
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******************************************************************/
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void DensePrint(DenseMat A);
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#endif
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#ifdef __cplusplus
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}
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#endif
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