Using MIRP reference files

Overview

Reference files are files created by mirp that contains integrals of a molecule/basis set computed to exact double precision. That is, arbitrary precision interval arithmetic is used to guarantee that the output is known beyond double precision, with the final value truncated.

These reference files may be quite large, and therefore are distributed separately from MIRP.

Reference File Format

The format of the reference files is documented at Reference File Format.

Sample code for reading reference files is available in the examples subdirectory of the MIRP source.

Todo:

Place to download reference files