File List

Here is a list of all files with brief descriptions:

[detail level 123]

▼ mirp
▼ kernels
all.h	Convenience header for including headers for all kernels
boys.c	Calculation of the boys function using interval arithmetic
boys.h	Calculation of the boys function
gtoeri.c	Kernel for electron repulsion integrals of gaussian orbitals
gtoeri.h	Kernel for electron repulsion integrals of gaussian orbitals
integral4_wrappers.c	Some useful wrapping of functionality
integral4_wrappers.h	Some useful wrapping of functionality
gpt.c	Calculation of the Gaussian Product Theorem terms
gpt.h	Calculation of the Gaussian Product Theorem terms
math.c	Some miscellaneous mathematical functions in interval arithmetic
math.h	Some miscellaneous mathematical functions and constants
mirp.h	Convenience header for including common MIRP functionality
pragma.h	Pragmas for enabling/disabling compiler warnings
shell.c	Functions related to gaussians and shells
shell.h	Functions related to gaussians and shells
typedefs.h	Typedefs of common function pointers
▼ mirp_bin
callback_helper.hpp	Aggregate header for callback helpers
callback_helper4.hpp	Structures that help with calling callbacks
cmdline.cpp	Functions for parsing the command line given to a program
cmdline.hpp	Functions for parsing the command line given to a program
data_entry.hpp	Common data structures (shells, entries, etc)
mirp_create_reference.cpp	Mirp_create_reference main function
mirp_create_test.cpp	Mirp_create_test main function
mirp_verify_reference.cpp	Mirp_verify_reference main function
mirp_verify_test.cpp	Mirp_verify_test main function
read_construct_basis.cpp	Construction of a basis from coordinates and a basis set file
ref_integral.cpp	Functions related to four-center integral reference files
ref_integral.hpp	Functions related to four-center integral reference files
reffile_io.cpp	Helper functions for reading/writing reference data files
reffile_io.hpp	Helper functions for reading/writing reference data files
test_boys.cpp	Functions related to testing the Boys function
test_boys.hpp	Functions related to testing the Boys function
test_common.cpp	Miscellaneous testing functions
test_common.hpp	Miscellaneous testing functions
test_integral.cpp	Functions related to testing four-center integrals
test_integral.hpp	Functions related to testing four-center integrals
test_integral_single.cpp	Functions related to testing four-center single integrals
testfile_io.cpp	Helper functions for reading/writing test files
testfile_io.hpp	Helper functions for reading/writing test files