adcc
0.14.3
Introduction
Installation
Performing calculations with adcc
Theoretical review of ADC methods
Benchmarks and timings
Overview of adcc
Advanced topics
Connecting host programs to adcc
Developer’s notes
API reference
adcc module
libadcc: Python bindings for adccore
Functions
add
amplitude_vector_enforce_spin_kind
compute_gs2state_optdm
compute_modified_transition_moments
compute_state2state_optdm
compute_state_diffdm
contract
contract_to
divide
get_n_threads
get_n_threads_total
guess_symmetries
guess_zero
guesses_from_diagonal
make_symmetry_eri
make_symmetry_operator
make_symmetry_operator_basis
make_symmetry_orbital_coefficients
make_symmetry_orbital_energies
multiply
set_n_threads
set_n_threads_total
subtract
Classes
adccore: C++ core library
Extra information
Publications and references
About this project
adcc
Docs
»
API reference
»
compute_state2state_optdm
View page source
compute_state2state_optdm
¶
libadcc.
compute_state2state_optdm
(
arg0: str
,
arg1: libadcc.LazyMp
,
arg2: libadcc.AmplitudeVector
,
arg3: libadcc.AmplitudeVector
,
arg4: libadcc.AdcIntermediates
)
→ libadcc.OneParticleOperator
¶