dDMC

Dispersion correction tailored around the SCC-DFTB approach This is the main implementation of the paper:

HOW TO COMPILE

You need a recent gfortran compilator installed on your machine.

$ cd src
$ make

Tested on Debian 8

Name	Name	Last commit message	Last commit date
Latest commit grhawk Update README.md Aug 28, 2022 3202db1 · Aug 28, 2022 History 216 Commits
damp_cutoff	damp_cutoff	computing the damping cutoff	Aug 19, 2015
example	example	removed water example	Aug 19, 2015
gradient_derivation	gradient_derivation	Mod: Minor output modifications	Oct 24, 2014
src	src	a more decent expression for the gradient	Jun 1, 2016
.gitignore	.gitignore	Some change in the example directory	Aug 19, 2015
README.md	README.md	Update README.md	Aug 28, 2022