GAP and SOAP documentation¶
These are the documentation pages for Gaussian Approximation Potential (GAP) code. GAP is a plugin for QUIP, which is a set of molecular simulation tools. QUIP itself can be used as a plugin to LAMMPS or called from ASE.
The purpose of the GAP code is to fit interatomic potentials and then use them for molecular simulation.
- Installation of QUIP, quippy and GAP
- The gap_fit program
- SOAP and GAP reference
- GAP models and databases