Quantum Package
master
Introduction
Installation
Selected Configuration Interaction
User's guide
Quick-start guide
Interfaces
Excited states
Natural orbitals
Printing the near-
FCI
wave function
Working with external plugins
Index of commands
Index of programs
Programmer's guide
Programming in the
Quantum Package
EZFIO
Developing plugins
Tutorial for creating a plugin
Tuto I: One- and two-e integrals (20 minutes)
Developping new functionals for KS or RS-DFT
Index for programmers
Index of Modules
ao_basis
ao_one_e_integrals
ao_two_e_erf_ints
ao_two_e_ints
aux_quantities
becke_numerical_grid
bitmask module
cipsi
cis
cisd
davidson
davidson_dressed
davidson_undressed
density_for_dft
determinants
dft_keywords
dft_one_e
dft_utils_in_r
dft_utils_one_e
dress_zmq
electrons
ezfio_files
fci
generators_cas
generators_full
hartree_fock
iterations
kohn_sham
kohn_sham_rs
mo_basis
mo_guess
mo_one_e_integrals
mo_two_e_erf_ints
mo_two_e_ints
mpi
nuclei
perturbation
pseudo
psiref_cas
psiref_utils
scf_utils
selectors_cassd
selectors_full
selectors_utils
single_ref_method
tools
utils
zmq
qp_name
qp_test
Coding conventions
Index of Providers
Index of Subroutines/Functions
Appendix
Benchmarks
License
Contributors
References
Quantum Package
Index for programmers
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