#include <vector>
#include "mpqc/chemistry/units/units.h"
#include "mpqc/math/external/eigen/eigen.h"
#include "mpqc/util/core/exenv.h"

Include dependency graph for print.h:

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Namespaces
	mpqc
	The top-level namespace for all Massively Parallel Quantum Chemistry package.

	mpqc::util

Functions
template<typename T >
void	mpqc::util::print_davidson_energy_iteration (std::size_t iter, const EigenVector< T > &delta_e, const EigenVector< T > &error, const EigenVector< T > &eig, double time1, double time2)
	print excitation energy at each iteration More...

template<typename T >
void	mpqc::util::print_single_state_davidson_energy_iteration (std::size_t iter, const T &delta_e, const T &error, const T &eig, double time1, double time2)
	print excitation energy at each iteration More...

template<typename T , typename Idx >
void	mpqc::util::print_cis_dominant_elements (std::vector< std::pair< T, Idx >> &dominants)
	print dominant index and element in cis vector, with index ordered as i,a More...

template<typename T , typename Idx >
void	mpqc::util::print_t1_dominant_elements (std::vector< std::pair< T, Idx >> &dominants)
	print dominant index and element in t1, with index ordered as a, i More...

template<typename T , typename Idx >
void	mpqc::util::print_t1_for_ip (std::vector< std::pair< T, Idx >> &dominants)
	print dominant index and element in t1 More...

template<typename T , typename Idx >
void	mpqc::util::print_t1_for_ea (std::vector< std::pair< T, Idx >> &dominants)
	print dominant index and element in t1 More...

template<typename T , typename Idx >
void	mpqc::util::print_t2_dominant_elements (std::vector< std::pair< T, Idx >> &dominants)
	print dominant index and element in t2, with index ordered as a,b,i,j More...

template<typename T >
void	mpqc::util::print_excitation_energy (const EigenVector< T > &eig, bool triplets)
	print excitation energy with different unit More...

Namespaces

Functions