MolSSI Integral Reference Project
Classes | Namespaces | Functions
test_boys.hpp File Reference

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...
 

Detailed Description

Functions related to testing the Boys function.