mirp::integral_single_data_entry Struct Reference

Data for a single cartesian integral. More...

#include <data_entry.hpp>

Collaboration diagram for mirp::integral_single_data_entry:

Public Attributes
std::vector< gaussian_single_str >	g
	Shell array for which the integrals calculated. More...
std::string	integral
	Actual data (integral) for this gaussian. More...

Detailed Description

Data for a single cartesian integral.

The length of integral_single_data_entry::g represents the number of centers for the integral.

Member Data Documentation

g

std::vector<gaussian_single_str> mirp::integral_single_data_entry::g

Shell array for which the integrals calculated.

integral

std::string mirp::integral_single_data_entry::integral

Actual data (integral) for this gaussian.

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

• mirp_bin/data_entry.hpp