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schroedinger examples are not working correctly for 2010.2-release #137

Open GoogleCodeExporter opened 9 years ago

GoogleCodeExporter commented 9 years ago
releases sfepy-release-2010.1, 2010.2-release, does not produce correct
results for shroedinger example problems: well, oscillator, boron. dft does
not work at all.
> n      exact         FEM      error
> 0:  1.00000000   0.00070729  99.93%
> 1:  2.00000000   0.00079621  99.96%
> 2:  2.00000000   0.00158312  99.92%
> 3:  3.00000000   0.00174114  99.94%
> 4:  3.00000000   0.00318958  99.89%
> 5:  3.00000000   0.00327202  99.89%
> 6:  4.00000000   0.00664995  99.83%

Original issue reported on code.google.com by os...@fuse.net on 2 Jun 2010 at 2:21

GoogleCodeExporter commented 9 years ago
I have fixed most of the issues (some by removing files :)). Now

- in 2D in all examples the eigenvalues converge
- in 3D --hydrogen and --boron do not converge (better mesh needed?)

That's about all I can do for now.

Original comment by robert.c...@gmail.com on 2 Jun 2010 at 4:20

GoogleCodeExporter commented 9 years ago
Migrated to http://github.com/sfepy/sfepy/issues/139

Original comment by robert.c...@gmail.com on 30 Jan 2012 at 10:27