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View Code? Open in Web Editor NEWA Python package for numerical quantum mechanics of chain-like systems based on tensor trains
License: GNU General Public License v3.0
A Python package for numerical quantum mechanics of chain-like systems based on tensor trains
License: GNU General Public License v3.0
Problems arise when setting plot_expect=False. Probably since the major changes of the plot layout in May 2022?
Use also Pauli matrices as default observables. Calculate (and plot?) their expectation values for every (main!) time step.
Occasionally, problems arise when calculating quantum-mechanical uncertainties, see *.err files created by 'curta' batch jobs.
Probably, the following line in method observe in class QuantumMechanics is not smart enough:
np.real_if_close ( np.sqrt(self.pos_squa[i,j] - self.position[i,j]**2), tol=TOLERANCE )
and similarly for the momenta
It would be nice to have the console output to be written in parallel to a log-file, for documentation purposes etc. That log-file should have the same filename as the input Python script, but with extension .txt or .log. Hence, in analogy to the image (.png) and animation (.mp4) output that WaveTrain already produces routinely.
The available Hamiltonians should be classified by two Boolean attributes|properties:
The goal of this issue is to replace all queries for the names of classes (Exciton, Phonon, Coupled) by queries for these two attributes|properties. Thus, it should open the way toward designing new classes for other Hamiltonians.
During TDSE (and QCMD) propagations we are calculating autocorrelation functions (ACFs) which are good for two purposes:
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