The mctdhtools project aims to provide a set of routines for easily reading and manipulating the output of the Heidelberg MCTDH code. Its goal is to allow a new user to quickly get started with writing custom analysis programs, and to allow more experienced users to write small, clean, and testable analysis programs, something that seems incompatible with the Fortran-77 code of the Heidelberg MCTDH package.
|Tags||Science Numerics Physics Chemistry|
|Licenses||BSD 2 clause|
|Operating Systems||UNIX / Linux|
Release Notes: This release added unified parameter handling in the various tools, and a few specialized measuring and data manipulation tools with the corresponding functions/code: calculation of the tracedistance / fidelity between two calculations, calculation of boundaries for quantum discord, and generating maximal entanglement of a system with an ancilla degree of freedom.
Release Notes: This initial release adds code and tools for reading Fortran output, and for extending the output from the Heidelberg MCTDH package for common use cases.