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Getting started

  • Installation
  • Choosing a CIDER Functional
  • First Calculations

Running calculations

  • Molecular Calculations with PySCF
  • Periodic and Isolated Calculations with GPAW
  • Energies and Derivative Properties
  • Handling SCF Convergence Issues

The CIDER framework

  • Theory and Functional Design
  • Electronic Features in CiderPress

Model and descriptor workflows

  • Model and Descriptor Workflows

API and implementation reference

  • Core DFT Representation
  • Regression, Training, and Mapping APIs
  • PySCF Interface and Numerical Modules
  • GPAW Interface and PAW Implementation
  • C Extension Libraries

Reference

  • Supported Use and Limitations
  • Citing CIDER and CiderPress
CiderPress
  • Search

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