All modules for which code is available
- wavefunction_analysis.dynamics.dimers_in_crystal
- wavefunction_analysis.dynamics.electronic_dynamics_gs
- wavefunction_analysis.dynamics.exciton_dynamics
- wavefunction_analysis.dynamics.molecular_dynamics
- wavefunction_analysis.dynamics.oscillator_dynamics
- wavefunction_analysis.dynamics.photon_dynamics
- wavefunction_analysis.embedding.fragment_entangle
- wavefunction_analysis.embedding.mol_lo_tools
- wavefunction_analysis.embedding.orbital_entropy
- wavefunction_analysis.opt.grassmann
- wavefunction_analysis.opt.optimization
- wavefunction_analysis.opt.riemannian
- wavefunction_analysis.plot.plot_orbital_property
- wavefunction_analysis.plot.plot_wave_energy_temperature
- wavefunction_analysis.plot.utils
- wavefunction_analysis.plot.vibrational_spectra
- wavefunction_analysis.polariton.condensate
- wavefunction_analysis.polariton.greens_func
- wavefunction_analysis.polariton.qed_ks
- wavefunction_analysis.polariton.qed_ks_grad
- wavefunction_analysis.polariton.qed_ks_hess
- wavefunction_analysis.polariton.qed_ks_response
- wavefunction_analysis.polariton.qed_thermo
- wavefunction_analysis.polariton.td_gks_soc
- wavefunction_analysis.property.delta_scf
- wavefunction_analysis.property.energy_density_plot
- wavefunction_analysis.property.epr
- wavefunction_analysis.property.orbital_property
- wavefunction_analysis.property.rdm_analysis
- wavefunction_analysis.property.sapt_dispersion
- wavefunction_analysis.spins.circuit
- wavefunction_analysis.spins.infinite_mps_block
- wavefunction_analysis.spins.matrix_product_state
- wavefunction_analysis.spins.qaoa
- wavefunction_analysis.spins.spin_hamil
- wavefunction_analysis.utils.cg_coeffs
- wavefunction_analysis.utils.chiral_geom
- wavefunction_analysis.utils.fdiff
- wavefunction_analysis.utils.monitor_performance
- wavefunction_analysis.utils.ortho_basis
- wavefunction_analysis.utils.print_matrix
- wavefunction_analysis.utils.pyscf_parser
- wavefunction_analysis.utils.read_files
- wavefunction_analysis.utils.sec_mole
- wavefunction_analysis.utils.sec_rem
- wavefunction_analysis.utils.unit_conversion
- wavefunction_analysis.utils.utils
- wavefunction_analysis.utils.wf_overlap