PLAMS: Python Library for Automating Molecular Simulations¶ Getting Started New to PLAMS? Take a look at this guide to learn how to install, set up, and start using PLAMS. Examples Explore these practical examples demonstrating PLAMS functionality, and a wide range of use cases with AMS. Amsterdam Modeling Suite Check out this user guide for detailed documentation on how to set up and run AMS calculations. Components (Settings, Job, …) Find the detailed API reference for core PLAMS components. Table of contents Getting Started Examples Amsterdam Modeling Suite AMS driver and engines AMS worker ASE Calculator for AMS Quick jobs Analysis tools: Densf, FCF, analysis KF files COSMO-RS ParAMS, Simple Active Learning Conformers Recipes Reactions Discovery Zacros Components (Settings, Job, …) Settings Jobs Results Job runners Job manager Public functions Molecule Molecule Atom Bond RDKit interface ASE interface Packmol interface Utilities Trajectories XYZ trajectory files RKF trajectory files DCD trajectory files Trajectory class Job Analysis View Cookbook Citations Other programs CP2K Crystal DFTB+ Dirac ORCA RASPA VASP Serenity FAQ
