GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis  111
integral_data Module Reference

Contains options that control numerical details of the integral calculation. This type can be extended for a particular type of integral calculations to include the options relevant only for those. More...

Detailed Description

Contains options that control numerical details of the integral calculation. This type can be extended for a particular type of integral calculations to include the options relevant only for those.

Todo:
the first line of read/write should include version number of the object to ensure I can tell if I am reading things correctly.

The documentation for this module was generated from the following file: