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ATC version 2.0, date: Nov20

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12757 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
jatempl
2014-11-20 18:59:03 +00:00
parent 2fecb0f4b8
commit ac5973073f
69 changed files with 5895 additions and 2159 deletions
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48
lib/atc/Matrix.h
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@ -21,12 +21,12 @@ public:
virtual ~Matrix() {}
//* stream output functions
void print(std::ostream &o) const { o << to_string(); }
void print(std::ostream &o, const std::string &name) const;
void print(std::ostream &o, int p=myPrecision) const { o << this->to_string(p); }
void print(std::ostream &o, const std::string &name, int p=myPrecision) const;
friend std::ostream& operator<<(std::ostream &o, const Matrix<T> &m){m.print(o); return o;}
void print() const;
virtual void print(const std::string &name) const;
virtual std::string to_string() const;
virtual void print(const std::string &name, int p = myPrecision) const;
virtual std::string to_string(int p = myPrecision) const;
// element by element operations
DenseMatrix<T> operator/(const Matrix<T>& B) const;
@ -144,7 +144,7 @@ public:
virtual bool check_range(T min, T max) const;
protected:
virtual void _set_equal(const Matrix<T> &r);
virtual void _set_equal(const Matrix<T> &r) = 0;
};
//* Matrix operations
@ -286,16 +286,14 @@ void MultAB(const Matrix<T> &A, const Matrix<T> &B, DenseMatrix<T> &C,
//-----------------------------------------------------------------------------
//* output operator
template<typename T>
std::string Matrix<T>::to_string() const
std::string Matrix<T>::to_string(int p) const
{
std::string s;
for (INDEX i=0; i<nRows(); i++)
{
for (INDEX i=0; i<nRows(); i++) {
if (i) s += '\n';
for (INDEX j=0; j<nCols(); j++)
{
if (j) s+= '\t';
s += ATC_Utility::to_string((*this)(i,j),myPrecision)+" ";
for (INDEX j=0; j<nCols(); j++) {
//if (j) s+= '\t';
s += ATC_Utility::to_string((*this)(i,j),p)+" ";
}
}
return s;
@ -303,10 +301,10 @@ std::string Matrix<T>::to_string() const
//-----------------------------------------------------------------------------
//* output operator that wraps the matrix in a nice labeled box
template<typename T>
void Matrix<T>::print(std::ostream &o, const std::string &name) const
void Matrix<T>::print(std::ostream &o, const std::string &name, int p) const
{
o << "------- Begin "<<name<<" -----------------\n";
this->print(o);
this->print(o,p);
o << "\n------- End "<<name<<" -------------------\n";
}
//-----------------------------------------------------------------------------
@ -319,9 +317,9 @@ void Matrix<T>::print() const
//-----------------------------------------------------------------------------
//* named print operator, use cout by default
template<typename T>
void Matrix<T>::print(const std::string &name) const
void Matrix<T>::print(const std::string &name, int p) const
{
print(std::cout, name);
print(std::cout, name, p);
}
//-----------------------------------------------------------------------------
//* element by element division
@ -648,24 +646,6 @@ Matrix<T>& Matrix<T>::operator=(const Matrix<T> &r)
this->_set_equal(r);
return *this;
}
//----------------------------------------------------------------------------
// general matrix assignment (for densely packed matrices)
//----------------------------------------------------------------------------
template<typename T>
void Matrix<T>::_set_equal(const Matrix<T> &r)
{
this->resize(r.nRows(), r.nCols());
const Matrix<T> *pr = &r;
if (const SparseMatrix<T> *ps = sparse_cast(pr))
copy_sparse_to_matrix(ps, *this);
else if (diag_cast(pr)) // r is Diagonal?
{
this->zero();
for (INDEX i=0; i<r.size(); i++) (*this)(i,i) = r[i];
}
else memcpy(this->ptr(), r.ptr(), r.size()*sizeof(T));
}
//-----------------------------------------------------------------------------
//* sets all elements to a constant
template<typename T>