Modules API

• AO Restricted Fock Op
• AO Restricted Kohn-Sham Op
• AO Restricted One-Electron Fock Op
• AO Restricted One-Electron Kohn-Sham Op
• Core guess
• Coulomb’s Law
• Density matrix builder
• Determinant driver
• Diagonalization Fock update
• Electronic energy
• Fock matrix builder
• GauXC Basis Converter
• GauXC Driver
• GauXC Molecule Converter
• GauXC Quadrature Batches
• GauXC XC Energy
• GauXC XC Potential
• Generalized eigensolve via Eigen
• Loop
• Restricted Fock Op
• Restricted Kohn-Sham Op
• Restricted One-Electron Fock Op
• Restricted One-Electron Kohn-Sham Op
• SAD guess
• SCF Driver
• SCF integral driver
• snLinK