adcc
0.15.1
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
amplitude_vector_enforce_spin_kind
compute_gs2state_optdm
compute_modified_transition_moments
compute_state2state_optdm
compute_state_diffdm
direct_sum
evaluate
get_n_threads
get_n_threads_total
guess_symmetries
guess_zero
guesses_from_diagonal
linear_combination_strict
make_symmetry_eri
make_symmetry_operator
make_symmetry_operator_basis
make_symmetry_orbital_coefficients
make_symmetry_orbital_energies
set_n_threads
set_n_threads_total
tensordot
trace
Classes
adccore: C++ core library
Extra information
Publications and references
About this project
adcc
Docs
»
API reference
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evaluate
View page source
evaluate
¶
libadcc.
evaluate
(
arg0: libadcc.Tensor
)
→ libadcc.Tensor
¶