libECP

calculation of effective core potential (ECP) integrals in quantum chemistry codes

4
2
C

libECP is a C library that implements an integrator for the evaluation of Effective Core Potential (ECP) integrals.

Docs

Documentation is unfortunately quite sparse at the moment.
Please have a look at the example coding.

There also is a simplified one-function-call interface available (src/getIntegrals.[ch]).