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MolSSI Integral Reference Project
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Functions related to testing the Boys function. More...
#include <arb.h>#include <vector>#include <string>

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Classes | |
| struct | mirp::boys_data_entry |
| An single entry for a Boys function test. More... | |
| struct | mirp::boys_data |
| A collection of data for testing the Boys function. More... | |
Namespaces | |
| mirp | |
Functions | |
| int | mirp::boys_max_m (const boys_data &data) |
Finds the maximum value of m in a Boys test data structure. More... | |
| boys_data | mirp::boys_read_file (const std::string &filepath, bool is_input) |
| Read a file with reference data for the Boys function. More... | |
| void | mirp::boys_write_file (const std::string &filepath, const boys_data &data) |
| Write a file with reference data for the Boys function. More... | |
| long | mirp::boys_verify_test_main (const std::string &filepath, const std::string &floattype, int extra_m, slong working_prec) |
| Run a test of the Boys function. More... | |
| void | mirp::boys_create_test (const std::string &input_filepath, const std::string &output_filepath, slong working_prec, long ndigits, const std::string &header) |
| Create a test file for the Boys function from a given input file. More... | |
Functions related to testing the Boys function.
1.8.13