MolSSI Integral Reference Project
Using MIRP programs


MIRP contains several programs for generating test data and for verifying the generated data. The sources for these programs are located in mirp_bin.

In general, MIRP can create two types of files. The first is a reference file. These files contain contracted integrals and use double precision as input and output, but use interval math to ensure that there is no roundoff error in the integral calculation. These files are useful for testing other libraries and programs.

The second type of file is a test file. These contain integrals that use interval math/arbitrary precision as input and output, and are used mostly to test the internal integral code in MIRP.

The executables included with MIRP are:

Each executable contains a help section, which can be accessed by either passing "-h" to the executable, or by running the executable with no options. See these individual help screens for more details on the available options