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MolSSI Integral Reference Project
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Files | |
file | callback_helper.hpp [code] |
Aggregate header for callback helpers. | |
file | callback_helper4.hpp [code] |
Structures that help with calling callbacks. | |
file | cmdline.cpp |
Functions for parsing the command line given to a program. | |
file | cmdline.hpp [code] |
Functions for parsing the command line given to a program. | |
file | data_entry.hpp [code] |
Common data structures (shells, entries, etc) | |
file | mirp_create_reference.cpp |
mirp_create_reference main function | |
file | mirp_create_test.cpp |
mirp_create_test main function | |
file | mirp_verify_reference.cpp |
mirp_verify_reference main function | |
file | mirp_verify_test.cpp |
mirp_verify_test main function | |
file | read_construct_basis.cpp |
Construction of a basis from coordinates and a basis set file. | |
file | ref_integral.cpp |
Functions related to four-center integral reference files. | |
file | ref_integral.hpp [code] |
Functions related to four-center integral reference files. | |
file | reffile_io.cpp |
Helper functions for reading/writing reference data files. | |
file | reffile_io.hpp [code] |
Helper functions for reading/writing reference data files. | |
file | test_boys.cpp |
Functions related to testing the Boys function. | |
file | test_boys.hpp [code] |
Functions related to testing the Boys function. | |
file | test_common.cpp |
Miscellaneous testing functions. | |
file | test_common.hpp [code] |
Miscellaneous testing functions. | |
file | test_integral.cpp |
Functions related to testing four-center integrals. | |
file | test_integral.hpp [code] |
Functions related to testing four-center integrals. | |
file | test_integral_single.cpp |
Functions related to testing four-center single integrals. | |
file | testfile_io.cpp |
Helper functions for reading/writing test files. | |
file | testfile_io.hpp [code] |
Helper functions for reading/writing test files. | |