This package is intended to perform energy calculations for chemical structures. Given a "molecule_core" data structure and an available method of calculating energy, this should perform calculations to return a value.
Ideally, someone should be able to build their own package based off this one to implement their own energy calculations. I have not figured that part out yet.
Nothing at present, currently a placeholder. Intended functionality is described above.
Documentation will be added as this fills out.
There are no suitable examples on how to use this yet.
const like = 'sample';At present, this is a placeholder for this project, and functionality will be added to this as needed. Once it becomes useful, suggestions will be welcome.