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WavePacket-7.2.1.zip (5.7 MB)
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| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| README.md | 2017-01-27 | 1.3 kB | |
| WavePacket-5.2.1.tar.bz2 | 2016-07-29 | 319.4 kB | |
| WavePacket-5.2.1.zip | 2016-07-11 | 685.7 kB | |
| Totals: 3 Items | 1.0 MB | 0 | |
Version 5.2.1 released on 07-Jul-2016
This version (SVN revision 1771) contains minor fixes and revisions in the older parts of the WavePacket program package. Note that this version is exactly as described in our article in Comp. Phys. Comm.. Among others there are the following changes
- Providing numerical factors for conversions from/to atomic units
- Improved coloring of surface plots
- Symmetry (so far only parity implemented) available also for non-FFT grids, i. e. for Gauss-Legendre and Gauss-Hermite DVR schemes.
- Simplify/unify many of the demo examples by using Taylor series for potential energy, dipole moment, system-bath coupling functions.
For a more detailed description of the changes, see also the Ticket tool
This version runs flawlessly for all of our demo examples with Matlab R2015b under Windows 7. Should you encounter problems with other Matlab versions and/or other operating systems, please don't hesitate to contact us.