C API

The following modules of cuEST offer integration with NVIDIA’s high-performance computing libraries through a C API.

API Reference

• Types
  • Structs
  • Enums
  • Typedefs
• Methods
  • Overlap
  • Kinetic
  • Potential
  • Coulomb
  • Exchange
  • Unified Coulomb/Exchange Gradient
  • Exchange/Correlation
  • Nonlocal Correlation
  • Polarizable Continuum Models
  • Effective Core Potentials
• Basis and Grid
  • Basis
  • Effective Core Potentials
  • Grid
• Integral Plans
  • One Electron Integral Plan
  • Density Fitting Integral Plan
  • Effective Core Potential Integral Plan
  • Exchange/Correlation Integral Plan
  • Polarizable Continuum Model Plan
• Utilities
  • Context
  • Parameters
  • Query
  • Results