Quild Manual 2019

QUILD (Quantum-regions Interconnected by Local Descriptions) enables calculations for multi-level approaches.

Warning

QUILD and this manual have not been updated since the 2019 release of the Amsterdam Modeling Suite. Many examples from this manual will likely not work in AMS2020 or later, where ADF has been integrated into the AMS driver. Some of the functionality of QUILD can be achieved using the new Hybrid Engine which has been added in AMS2020.

• (PDF) Quild Manual

Table of Contents:

• QUantum-regions Interconnected by Local Descriptions
• What’s new in the 2018 version
• What’s new in the 2017 version
• What’s new in the 2009.01 version
• Basic philosophy
• Multi-level energy expression
• AddRemove method for capping atoms
• Improved geometry optimization
• Special cases
• How to call the program
• Input description
• Example inputfiles
• Required Citations
• References