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Table of Contents

  • Home

API User Guide

  • API Methods
  • API Examples
  • Installation
  • Emulation in cuEST
  • Gaussian Basis Ordering

API Reference

  • C API
    • 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
  • Python API
    • Methods
      • Overlap
      • Kinetic
      • Potential
      • Coulomb
      • Exchange
      • Unified Coulomb/Exchange Gradient
      • Exchange/Correlation
      • Nonlocal Correlation
      • Polarizable Continuum Models
      • Effective Core Potential
    • Basis and Grid
      • Basis
      • Grid
      • Effective Core Potentials
    • Integral Plans
      • One Electron Integral Plan
      • Density Fitting Integral Plan
      • Exchange/Correlation Integral Plan
      • PCM Integral Plan
      • ECP Integral Plan
    • Utilities
      • Context
      • Parameters
      • Query

Other Resources

  • Troubleshooting
  • Release Notes
  • Python API
  • cuEST Utilities

cuEST Utilities#

cuEST Utilities

  • Context
    • cuestCreate()
    • cuestDestroy()
    • cuestSetMathMode()
    • cuestGetMathMode()
    • cuestSetComputeCapabilityTarget()
    • cuestGetComputeCapabilityTarget()
  • Parameters
    • cuestParametersCreate()
    • cuestParametersDestroy()
    • cuestParametersQuery()
    • cuestParametersConfigure()
  • Query
    • cuestQuery()

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ECP Integral Plan

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