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[Wavepacket-user] Version 7.1.0 of WavePacket (Matlab/Octave) released (02-Mar-2023)
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From: Burkhard S. <bur...@fu...> - 2023-03-02 09:44:34
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Dear friends of the Matlab version of WavePacket, this is to announce the release of version 7.1.0 ([Git hash value 5e104a9d...](https://sourceforge.net/p/wavepacket/matlab/git/ci/5e104a9d1ea88a370c25cd95b2a877740e190198/)) which provides a number of minor fixes and useful extensions as detailed in the following list of tickets: * [#232](https://sourceforge.net/p/wavepacket/matlab/tickets/232/): Iso-surface plots for 3D-wavefunctions * [#276](https://sourceforge.net/p/wavepacket/matlab/tickets/276/): Auto-detect Git version hash value * [#277](https://sourceforge.net/p/wavepacket/matlab/tickets/277/): Symmetric Euler scheme * [#278](https://sourceforge.net/p/wavepacket/matlab/tickets/278/): Components of electric field * [#280](https://sourceforge.net/p/wavepacket/matlab/tickets/280/): Code for Lyapunov solver * [#281](https://sourceforge.net/p/wavepacket/matlab/tickets/281/): Sparsity and cutoff in qm_bound * [#283](https://sourceforge.net/p/wavepacket/matlab/tickets/283/): Empty potentials, dipoles, etc ... * [#285](https://sourceforge.net/p/wavepacket/matlab/tickets/285/): Settable initial momenta * [#286](https://sourceforge.net/p/wavepacket/matlab/tickets/286/): Convergence in imaginary time Note that our work on [#278](https://sourceforge.net/p/wavepacket/matlab/tickets/278/) now allows for an arbitrary number of polarization directions, i.e. an arbitrary number of components of E-field vectors and dipole moments as well as polarizabilities. Unfortunately, this leads to a tiny **backward incompatibility**: Now the E-field amplitude must be given as a scalar or a row(!) vector; previously a polar represention in 2-D (amplitude and polarization angle) was used. Another minor backward incompatibility is due to renaming class +efi.inter → +efi.interp, for consistency with classes 'interp' in package folders +pot, +dip, etc. Best regards from Berlin/Germany Burkhard -- *----------------------------+----------------------------------------* | PD Dr. Burkhard Schmidt | Email:bur...@fu... | | Freie Universitaet Berlin | Web site:https://www.qcmd.info | *----------------------------+----------------------------------------* |
