Examples

The example section has grown (and it is expected to grow further). You can find them in the main github repository, here .

Some examples are:

• Argon in Water

• Hexaaquairon3

• Diffusion Monte Carlo for NH₃.

• Use of VP2.

• Zundel complex sampling with Metadynamics

• Examples of capacities with NH₃: - Calculator - Model - OpenMM - Pycharmm - Full example with PBE

A couple of tutorials to set up the reference calculation and different sampling methodologies can be found in this folder.