chemistry

Atomic Simulation Environment: A Python library for working with atoms

NX is a general-purpose program package for simulating the dynamics of electronically excited molecules and molecular assemblies.

ChemDataReader is a flexible python framework for reading and converting chemical data originating from webservers, including metadata and semantics.

This program solves the Evaluation Exercises for the course TÉCNICAS COMPUTACIONALES Y CÁLCULO NUMÉRICO in the EMTCCM.