Homec4science
Diffusion lammps (lammm-master-deprecated) Browse

lammps/lib/poems/matrixfun.cpp
b3884b1b5716lammm-master-deprecated

Last Change
Raw File

matrixfun.cpp
View Options

/*
*_________________________________________________________________________*
* POEMS: PARALLELIZABLE OPEN SOURCE EFFICIENT MULTIBODY SOFTWARE *
* DESCRIPTION: SEE READ-ME *
* FILE NAME: matrixfun.cpp *
* AUTHORS: See Author List *
* GRANTS: See Grants List *
* COPYRIGHT: (C) 2005 by Authors as listed in Author's List *
* LICENSE: Please see License Agreement *
* DOWNLOAD: Free at www.rpi.edu/~anderk5 *
* ADMINISTRATOR: Prof. Kurt Anderson *
* Computational Dynamics Lab *
* Rensselaer Polytechnic Institute *
* 110 8th St. Troy NY 12180 *
* CONTACT: anderk5@rpi.edu *
*_________________________________________________________________________*/
#include "matrixfun.h"
#include <math.h>
#include "fastmatrixops.h"
#include <cstdlib>
using namespace std;
//
// Create a new matrix
//
VirtualMatrix* NewMatrix(int type){
switch( MatrixType(type) )
{
case MATRIX : return new Matrix;
case COLMATRIX : return new ColMatrix;
case ROWMATRIX : return new RowMatrix;
case MAT3X3 : return new Mat3x3;
case MAT4X4 : return new Mat4x4;
case VECT3 : return new Vect3;
case VECT4 : return new Vect4;
default : return 0; // error!
}
}
//
// Transpose
//
Matrix T(const VirtualMatrix& A){
int numrows = A.GetNumRows();
int numcols = A.GetNumCols();
Matrix C(numcols,numrows);
for(int i=0;i<numcols;i++)
for(int j=0;j<numrows;j++)
C.BasicSet(i,j,A.BasicGet(j,i));
return C;
}
Mat3x3 T(const Mat3x3& A){
Mat3x3 C;
C.elements[0][0] = A.elements[0][0];
C.elements[1][1] = A.elements[1][1];
C.elements[2][2] = A.elements[2][2];
C.elements[0][1] = A.elements[1][0];
C.elements[0][2] = A.elements[2][0];
C.elements[1][2] = A.elements[2][1];
C.elements[1][0] = A.elements[0][1];
C.elements[2][0] = A.elements[0][2];
C.elements[2][1] = A.elements[1][2];
return C;
}
Mat6x6 T(const Mat6x6& A){
Mat6x6 C;
int i,j;
for(i=0;i<6;i++)
for(j=0;j<6;j++)
C.elements[i][j] = A.elements[j][i];
return C;
}
Matrix T(const Vect3& A){
Matrix C(1,3);
C.BasicSet(0,0,A.elements[0]);
C.BasicSet(0,1,A.elements[1]);
C.BasicSet(0,2,A.elements[2]);
return C;
}
Matrix T(const Vect6& A){
Matrix C(1,6);
C.BasicSet(0,0,A.elements[0]);
C.BasicSet(0,1,A.elements[1]);
C.BasicSet(0,2,A.elements[2]);
C.BasicSet(0,3,A.elements[3]);
C.BasicSet(0,4,A.elements[4]);
C.BasicSet(0,5,A.elements[5]);
return C;
}
RowMatrix T(const VirtualColMatrix &A){
int numele = A.GetNumRows();
RowMatrix C(numele);
for(int i=0;i<numele;i++)
C.BasicSet(i,A.BasicGet(i));
return C;
}
ColMatrix T(const VirtualRowMatrix &A){
int numele = A.GetNumCols();
ColMatrix C(numele);
for(int i=0;i<numele;i++)
C.BasicSet(i,A.BasicGet(i));
return C;
}
//
// Symmetric Inverse
//
Matrix SymInverse(Matrix &A){
int r = A.GetNumRows();
Matrix C(r,r);
Matrix LD(r,r);
Matrix I(r,r);
I.Zeros();
for(int i=0;i<r;i++) I.BasicSet(i,i,1.0);
FastLDLT(A,LD);
FastLDLTSubs(LD,I,C);
return C;
}
Mat6x6 SymInverse(Mat6x6 &A){
Mat6x6 C;
Mat6x6 LD;
Mat6x6 I;
I.Zeros();
for(int i=0;i<6;i++) I.BasicSet(i,i,1.0);
FastLDLT(A,LD);
FastLDLTSubs(LD,I,C);
return C;
}
//
// Inverse
//
Matrix Inverse(Matrix& A){
int r = A.GetNumRows();
int indx[10000];
Matrix LU(r,r);
Matrix I(r,r);
Matrix C(r,r);
I.Zeros();
for(int i=0;i<r;i++) I.BasicSet(i,i,1.0);
FastLU(A,LU,indx);
FastLUSubs(LU,I,C,indx);
return C;
}
Mat3x3 Inverse(Mat3x3& A){
int indx[10000];
Mat3x3 LU;
Matrix I(3,3);
Matrix C(3,3);
I.Zeros();
for(int i=0;i<3;i++) I.BasicSet(i,i,1.0);
FastLU(A,LU,indx);
FastLUSubs(LU,I,C,indx);
return C;
}
Mat4x4 Inverse(Mat4x4& A){
int indx[10000];
Mat4x4 LU;
Matrix I(4,4);
Matrix C(4,4);
I.Zeros();
for(int i=0;i<4;i++) I.BasicSet(i,i,1.0);
FastLU(A,LU,indx);
FastLUSubs(LU,I,C,indx);
return C;
}
Mat6x6 Inverse(Mat6x6& A){
int indx[10000];
Mat6x6 LU;
Matrix I(6,6);
Matrix C(6,6);
I.Zeros();
for(int i=0;i<6;i++) I.BasicSet(i,i,1.0);
FastLU(A,LU,indx);
FastLUSubs(LU,I,C,indx);
return C;
}
//
// overloaded addition
//
Matrix operator+ (const VirtualMatrix &A, const VirtualMatrix &B){ // addition
int Arows,Acols,Brows,Bcols;
Arows = A.GetNumRows();
Acols = A.GetNumCols();
Brows = B.GetNumRows();
Bcols = B.GetNumCols();
if( !((Arows == Brows) && (Acols == Bcols)) ){
cerr << "Dimesion mismatch in matrix addition" << endl;
exit(1);
}
Matrix C(Arows,Acols);
for(int i=0;i<Arows;i++)
for(int j=0;j<Acols;j++)
C.BasicSet(i,j,A.BasicGet(i,j) + B.BasicGet(i,j));
return C;
}
//
// overloaded subtraction
//
Matrix operator- (const VirtualMatrix &A, const VirtualMatrix &B){ // subtraction
int Arows,Acols,Brows,Bcols;
Arows = A.GetNumRows();
Acols = A.GetNumCols();
Brows = B.GetNumRows();
Bcols = B.GetNumCols();
if( !((Arows == Brows) && (Acols == Bcols)) ){
cerr << "Dimesion mismatch in matrix addition" << endl;
exit(1);
}
Matrix C(Arows,Acols);
for(int i=0;i<Arows;i++)
for(int j=0;j<Acols;j++)
C.BasicSet(i,j,A.BasicGet(i,j) - B.BasicGet(i,j));
return C;
}
//
// overloaded matrix multiplication
//
Matrix operator* (const VirtualMatrix &A, const VirtualMatrix &B){ // multiplication
int Arows,Acols,Brows,Bcols;
Arows = A.GetNumRows();
Acols = A.GetNumCols();
Brows = B.GetNumRows();
Bcols = B.GetNumCols();
if(Acols != Brows){
cerr << "Dimesion mismatch in matrix multiplication" << endl;
exit(1);
}
Matrix C(Arows,Bcols);
C.Zeros();
for(int i=0;i<Arows;i++)
for(int j=0;j<Bcols;j++)
for(int k=0;k<Brows;k++)
C.BasicIncrement(i,j, A.BasicGet(i,k) * B.BasicGet(k,j) );
return C;
}
//
// overloaded scalar multiplication
//
Matrix operator* (const VirtualMatrix &A, double b){ // multiplication
Matrix C = A;
C *= b;
return C;
}
Matrix operator* (double b, const VirtualMatrix &A){ // multiplication
Matrix C = A;
C *= b;
return C;
}
//
// overloaded negative
//
Matrix operator- (const VirtualMatrix& A){ // negative
int r = A.GetNumRows();
int c = A.GetNumCols();
Matrix C(r,c);
for(int i=0;i<r;i++)
for(int j=0;j<c;j++)
C.BasicSet(i,j,-A.BasicGet(i,j));
return C;
}
//
// Cross product (friend of Vect3)
//
Vect3 Cross(Vect3& a, Vect3& b){
return CrossMat(a)*b;
}
//
// Cross Matrix (friend of Vect3 & Mat3x3)
//
Mat3x3 CrossMat(Vect3& a){
Mat3x3 C;
C.Zeros();
C.elements[0][1] = -a.elements[2];
C.elements[1][0] = a.elements[2];
C.elements[0][2] = a.elements[1];
C.elements[2][0] = -a.elements[1];
C.elements[1][2] = -a.elements[0];
C.elements[2][1] = a.elements[0];
return C;
}
//
// Stack
//
Matrix Stack(VirtualMatrix& A, VirtualMatrix& B){
int m,na,nb;
m = A.GetNumCols();
if( m != B.GetNumCols()){
cerr << "Error: cannot stack matrices of differing column dimension" << endl;
exit(0);
}
na = A.GetNumRows();
nb = B.GetNumRows();
Matrix C(na+nb,m);
for(int i=0;i<na;i++){
for(int j=0;j<m;j++){
C.BasicSet(i,j,A.BasicGet(i,j));
}
}
for(int i=0;i<nb;i++){
for(int j=0;j<m;j++){
C.BasicSet(i+na,j,B.BasicGet(i,j));
}
}
return C;
}
//Hstack
Matrix HStack(VirtualMatrix& A, VirtualMatrix& B){
int m,na,nb;
m = A.GetNumRows();
if( m != B.GetNumRows()){
cerr << "Error: cannot stack matrices of differing row dimension" << endl;
exit(0);
}
na = A.GetNumCols();
nb = B.GetNumCols();
Matrix C(m,na+nb);
for(int i=0;i<m;i++){
for(int j=0;j<na;j++){
C.BasicSet(i,j,A.BasicGet(i,j));
}
}
for(int i=0;i<m;i++){
for(int j=0;j<nb;j++){
C.BasicSet(i,j+na,B.BasicGet(i,j));
}
}
return C;
}
//
//
void Set6DAngularVector(Vect6& v6, Vect3& v3){
v6.elements[0] = v3.elements[0];
v6.elements[1] = v3.elements[1];
v6.elements[2] = v3.elements[2];
}
void Set6DLinearVector(Vect6& v6, Vect3& v3){
v6.elements[3] = v3.elements[0];
v6.elements[4] = v3.elements[1];
v6.elements[5] = v3.elements[2];
}
c4science · Help