mirp::integral_data_entry Struct Reference

Data for a single contracted integral. More...

#include <data_entry.hpp>

Collaboration diagram for mirp::integral_data_entry:

Public Attributes
std::vector< gaussian_shell_str >	g
	Shells for which the integrals are calculated. More...
std::vector< int >	idx
	Indices of the shells. More...
std::vector< std::string >	integrals
	Computed integrals. More...

Detailed Description

Data for a single contracted integral.

Member Data Documentation

g

std::vector<gaussian_shell_str> mirp::integral_data_entry::g

Shells for which the integrals are calculated.

idx

std::vector<int> mirp::integral_data_entry::idx

Indices of the shells.

integrals

std::vector<std::string> mirp::integral_data_entry::integrals

Computed integrals.

---

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

• mirp_bin/data_entry.hpp