utils.h File Reference

Helper functions used by various pieces of the software. More...

#include <Eigen/Dense>
#include <map>

Go to the source code of this file.

Macros
#define	M_PIl   3.141592653589793238462643383279502884
#define	euler   2.718281828459045235360287471352662497

Functions
double	fact2 (int n)
double	fact (int n)
int	parity (int i)
double	binom (int p, int q)
std::vector< std::string >	split (const std::string &s, char delimiter)
template<typename T >
void	fill_mat (std::vector< T > &matrix_elements, Eigen::MatrixXd &opdm)
template<typename T >
void	fill_LT (std::vector< T > matrix_elements, Eigen::MatrixXd &opdm)
void	fortran_dfloats_to_efloats (std::string &str)
int	shell2angmom (std::string angmom)
bool	compare_strings (std::string s1, std::string s2)
bool	is_number (const std::string &s)
bool	is_letter (const std::string &s)
Eigen::MatrixXd	read_matrix (size_t N, std::string filename)

Detailed Description

Helper functions used by various pieces of the software.

Macro Definition Documentation

euler

#define euler   2.718281828459045235360287471352662497

M_PIl

#define M_PIl   3.141592653589793238462643383279502884

Function Documentation

binom()

double binom	(	int	p,
		int	q
	)

Computes binomial coefficient for P choose Q

Parameters

p	: integer to be evaluated
q	: integer to be evaluated

compare_strings()

bool compare_strings	(	std::string	s1,
		std::string	s2
	)

Case insensitive comparison of two strings

fact()

double fact

(

int

n

)

Computes factorial

Parameters

n	: integer to be evaluated

fact2()

double fact2

(

int

n

)

Computes double factorial (https://mathworld.wolfram.com/DoubleFactorial.html)

Parameters

n	: integer to be evaluated

fill_LT()

template<typename T >

void fill_LT	(	std::vector< T >	matrix_elements,
		Eigen::MatrixXd &	opdm
	)

fill_mat()

template<typename T >

void fill_mat	(	std::vector< T > &	matrix_elements,
		Eigen::MatrixXd &	opdm
	)

Populates symmetric matrix given list of elements read in row major order in lower triangular form

Parameters

matrix_elements	list of lower triangular matrix elements in row-major order
opdm	matrix to be populated

fortran_dfloats_to_efloats()

void fortran_dfloats_to_efloats

(

std::string &

str

)

is_letter()

bool is_letter

(

const std::string &

s

)

Checks if the string is a letter

is_number()

bool is_number

(

const std::string &

s

)

Checks if the string is an integer

parity()

int parity

(

int

i

)

Returns -1 if odd, 1 if even

Parameters

i	: integer to be evaluated

read_matrix()

Eigen::MatrixXd read_matrix	(	size_t	N,
		std::string	filename
	)

Reads formatted matrix from .txt file

shell2angmom()

int shell2angmom

(

std::string

angmom

)

Converts angular momentum letter(s,p,d etc.) to quantum number l

split()

std::vector<std::string> split	(	const std::string &	s,
		char	delimiter
	)

Helper function for splitting strings

Parameters

s	string to be split,
delimiter	delimiter for splitting

Returns

A vector containing the split string