Psi4
Classes | Namespaces | Enumerations | Functions
libmints/matrix.h File Reference
#include <string>
#include <vector>
#include <memory>
#include "psi4/libpsi4util/exception.h"
#include "dimension.h"

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Classes

class  psi::Matrix
 Makes using matrices just a little easier. More...
 

Namespaces

 psi
 This is all defined in python.cc initialize.
 
 psi::linalg
 
 psi::linalg::detail
 

Enumerations

enum  psi::diagonalize_order { psi::evals_only_ascending = 0, psi::ascending = 1, psi::evals_only_descending = 2, psi::descending = 3 }
 

Functions

SharedMatrix psi::linalg::horzcat (const std::vector< SharedMatrix > &mats)
 
SharedMatrix psi::linalg::vertcat (const std::vector< SharedMatrix > &mats)
 
SharedMatrix psi::linalg::doublet (const SharedMatrix &A, const SharedMatrix &B, bool transA, bool transB)
 
SharedMatrix psi::linalg::triplet (const SharedMatrix &A, const SharedMatrix &B, const SharedMatrix &C, bool transA, bool transB, bool transC)
 
double ** psi::linalg::detail::matrix (int nrow, int ncol)
 allocate a block matrix – analogous to libciomr's block_matrix More...
 
void psi::linalg::detail::free (double **Block)
 free a (block) matrix – analogous to libciomr's free_block More...