TurboRVB user manualsΒΆ
- TurboRVB in a nutshell
- Wavefunction
- Header
- Coordinates
- Ionic Forces
- 1B/2B Jastrow
- Basis Set for Determinant
- Molecular orbital
- Hybrid orbital
- The Basis Set for 3B Jastrow
- Occupation Determinant Orbitals
- Occupation Jastrow Orbitals
- Coefficient of the Determinant A Matrix different from zero
- JsAGPs
- JAGPu
- JAGP (JPf)
- Symmetries of the Determinant A matrix
- Coefficient of the Jastrow different from zero
- Symmetries of the Jastrow M matrix
- Symmetries on the Z coefficients in the Determinant Basis
- Symmetries on the Z coefficients in the Jastrow Basis
- system section
- electron section
- symmetry section
- ATOMIC_POSITIONS
- Basis set
- Initializations of Wavefunctions
- Wavefunction conversions
- Quantum Monte Carlo calculations