Definition of the public C-API of s-dftd3
Implementation of the argument list processor.
Implementation of a parameter database for damping parameters
Module for handling citation data
calculates the s-type overlap integral over 1s, 2s and 3s slater functions added support for 3s functions ovl = overlap integral za = slater exponent atom A zb = slater exponent atom B R = distance between atom A and B Inspired by mopac7.0
Versioning information on this library.