Hello,
release 0.1 of the C++ version is finally finished.
The two major changes are a rewrite and extension of the initial wave
function construction, and a numerical implementation of Redfield
dissipation, where you only supply the coupling operator(s) and
correlation functions (and a final propagation time and accuracy), and
a specialized builder assembles your Redfield operators. Implementing
the Redfield dissipation led to a host of other changes as well.
The detailed changelog:
- new working acceptance test:
- Spin-Boson problem with Redfield dissipation
- started adding demos from old Matlab code
- squeezed and shifted state in a harmonic oscillator
- cleaned up / improved generation of initial state:
- StateBuilder assembles product states, pure density operators
from wavefunctions etc.
- elementary generators build one-dimensional wavefunctions
- harmonic oscillator eigenstates
- Morse oscillator eigenstates
- interpolation from file; setting the 1D wavefunction
- New operators:
- RedfieldLiouvillian
- generalized operators that takes an arbitrary matrix / tensor
- time-dependent function
- added RedfieldBuilder to calculate the effective operators appearing
in the RedfieldLiouvillian
- New MultiPropagators that can simultaneously propagate several states
- added observers that are automatically called every (settable)
propagation time steps
- added observer that logs norm, energy and some other
expectation values
- some work to make Wavefunction/DensityManipulators more useful
- tests log some of the data; may be put to use for reproducing failures
Ulf
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