QCArchive User Guide#
This section of the documentation is for users who are submitting and managing computations on the QCArchive platform. It is expected that the users will using the QCPortal package, and that they are connecting to an existing QCArchive server.
If you are interested in running your own QCArchive server, please see QCFractal Server User Guide.
- QCPortal Installation & Setup
- Connecting to a server
- Interpreting metadata
- Query Iterators
- Molecules
- Retrieving records
- Submitting computations
- Managing Records
- Troubleshooting
- Datasets
- Record & Computation Types
- QCPortal API Reference
- QCPortal Clients
- Authentication and User Management
- Base Models
- Molecule
- Metadata Models
- Tasks and Services
- Internal Jobs
- Server Information
- Managers
- External Files
- Utilities and Miscellaneous
- Base Record Models
- Singlepoint Records
- Optimization Records
- Torsiondrive Records
- Gridoptimization Records
- Manybody Records
- Reaction Records
- NEB Records