mirp::integral_data Struct Reference

Contents of a data file for contracted integrals. More...

#include <data_entry.hpp>

Collaboration diagram for mirp::integral_data:

Public Attributes
long	ndigits
	The number of decimal digits of accuracy in the file. More...
long	working_prec
	Working precision used for the integrals. More...
std::string	header
	Header or comments about the test. More...
std::vector< integral_data_entry >	entries
	Actual data for the integrals. More...

Detailed Description

Contents of a data file for contracted integrals.

The data file holds data for multiple integrals, plus a descriptive header and some metadata.

Member Data Documentation

entries

std::vector<integral_data_entry> mirp::integral_data::entries

Actual data for the integrals.

header

std::string mirp::integral_data::header

Header or comments about the test.

ndigits

long mirp::integral_data::ndigits

The number of decimal digits of accuracy in the file.

working_prec

long mirp::integral_data::working_prec

Working precision used for the integrals.

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The documentation for this struct was generated from the following file:

• mirp_bin/data_entry.hpp