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
configure
qpsh
qp_convert_output_to_ezfio
qp_create_ezfio
qp_edit
qp_export_as_tgz
qp_plugins
qp_reset
qp_run
qp_set_frozen_core
qp_set_mo_class
qp_stop
qp_tunnel
qp_update
Index of programs
cis
cisd
diagonalize_h
fci
fcidump
four_idx_transform
ks_scf
molden
print_ci_vectors
print_e_conv
print_wf
pt2
rotate_mos
rs_ks_scf
save_natorb
save_one_e_dm
save_ortho_mos
scf
sort_by_fock_energies
swap_mos
test
write_integrals_erf
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
Appendix
Benchmarks
License
Contributors
References
Quantum Package
Index of commands
Edit on GitHub
Index of commands
configure
qpsh
qp_convert_output_to_ezfio
qp_create_ezfio
qp_edit
qp_export_as_tgz
qp_plugins
qp_reset
qp_run
qp_set_frozen_core
qp_set_mo_class
qp_stop
qp_tunnel
qp_update
Index of programs
cis
cisd
diagonalize_h
fci
fcidump
four_idx_transform
ks_scf
molden
print_ci_vectors
print_e_conv
print_wf
pt2
rotate_mos
rs_ks_scf
save_natorb
save_one_e_dm
save_ortho_mos
scf
sort_by_fock_energies
swap_mos
test
write_integrals_erf
Read the Docs
v: master
Versions
master
dev-stable
Downloads
On Read the Docs
Project Home
Builds