yogevb / a-dda

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Peculiarities of -jagged option #128

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
The original idea of the -jagged command line option was to discretize the 
particle exactly as without it, but replacing each dipole by a cube of JxJxJ 
dipoles, where J is the argument of -jagged. This expected behavior is 
exemplified by issue 21.

However, currently this is not exactly so, since function FitBox in fft.c 
treats differently even and odd values of J. So '-grid 3' leads to 4 dipoles 
along the x-axis, and '-grid 3 -jagged 2' leads to 6 (not 8) dipoles along the 
x-axis. While this can be justified by optimizations concerns, it distorts the 
original goal of -jagged.

It became even more weird after r1008. For example, 
  adda -grid 4 -jagged 2
leads to non-symmetric box 8x10x10. This behavior is not outright wrong (there 
is some logic behind it), but is definitely not the expected one.

Original issue reported on code.google.com by yurkin on 15 Feb 2011 at 5:43

GoogleCodeExporter commented 9 years ago
This issue was closed by revision r1020.

Original comment by yurkin on 15 Feb 2011 at 6:09