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MolSSI Integral Reference Project
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Contents of a data file for a single cartesian integral. More...
#include <data_entry.hpp>

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_single_data_entry > | entries |
| Actual data for the integrals. More... | |
Contents of a data file for a single cartesian integral.
The data file holds data for multiple integrals, plus a descriptive header and some metadata.
| std::vector<integral_single_data_entry> mirp::integral_single_data::entries |
Actual data for the integrals.
| std::string mirp::integral_single_data::header |
Header or comments about the test.
| long mirp::integral_single_data::ndigits |
The number of decimal digits of accuracy in the file.
| long mirp::integral_single_data::working_prec |
Working precision used for the integrals.
1.8.13