C++ API reference# This section documents the C++ API of GauXC. Molecule and atom types GauXC::Molecule GauXC::Atom Basis set and shell types GauXC::BasisSet GauXC::Shell Molecular grid types GauXC::MolGrid GauXC::Grid AtomicGridSizeDefault RadialQuad PruningScheme GauXC::MolecularWeights GauXC::MolecularWeightsFactory GauXC::MolecularWeightsSettings Runtime environment GauXC::RuntimeEnvironment GauXC::DeviceRuntimeEnvironment Load balancing GauXC::LoadBalancer GauXC::LoadBalancerFactory ExecutionSpace Exchange-correlation integrator GauXC::XCIntegrator GauXC::XCIntegratorFactory GauXC::IntegratorSettingsXC GauXC::IntegratorSettingsKS GauXC::IntegratorSettingsEXC_GRAD GauXC::IntegratorSettingsEXX GauXC::IntegratorSettingsSNLinK Macro definitions GAUXC_HAS_HOST GAUXC_HAS_DEVICE GAUXC_HAS_CUDA GAUXC_HAS_HIP GAUXC_HAS_MPI GAUXC_HAS_MAGMA GAUXC_HAS_NCCL GAUXC_HAS_CUTLASS GAUXC_HAS_GAU2GRID GAUXC_HAS_HDF5 GAUXC_CPU_XC_MAX_AM GAUXC_CPU_SNLINK_MAX_AM GAUXC_GPU_XC_MAX_AM GAUXC_GPU_SNLINK_MAX_AM