ORCA 6: Introduction and Overview
This workshop was run for the Virtual Winter School on Computational Chemistry The format was a series of introductory lectures, followed by hands-on workshop sessions. Information for new users of ORCA To ensure a smooth and productive practical hands-on session, we kindly ask participants to complete the following preparations beforehand: Install ORCAStudents should install ORCA in advance for the hands-on part of the workshop.- Installation Instructions: ORCA Installation Guide(Participants can register for free on the ORCA forum to download the software.)- ORCA Download: ORCA Download Page Install Avogadro as a GUIWe recommend installing Avogadro as a graphical user interface for ORCA.- Installation Instructions: Avogadro Installation Guide Install ChimeraX as a GUIWe also recommend installing ChimeraX as a graphical user interface for ORCA.- Installation Instructions: ChimeraX Installation Guide- Please also install the SEQCROW plugin! It can be installed via the Tools/More Tools menu within ChimeraX.
Publication Details
- Journal
- Zenodo (CERN European Organization for Nuclear Research)
- Published
- 2025-03-03
- DOI
- https://doi.org/10.5281/zenodo.14959161
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 0.00