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New cost functions in coil complexity and coil-coil separation

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@zhucaoxiang zhucaoxiang released this 09 Jul 14:57
· 135 commits to develop since this release
370e8ca

(Please update the develop branch)

Updates:

  • A new cost function on the so-called "Nissin" coil complexity has been implemented. For details, please check this documentation.
  • A new cost function on the coil-coil separation has been (re-)implemented. Please check here.
  • The curvature function has been revised. Please check here.
  • There is also a cost function on the coil torsion, but documentation is underway.
  • A new example of ATEN using the new cost functions has been prepared. Please check the example folder.
  • The screen output has been re-organized. If you want to see the evolution of each cost function, please use IsQuiet = -2/-1.
  • Some bugs have been fixed.

Some notes:

  • The input namelist has been modified. A quick way to get a template of the latest namelist is to run xfocus -i. You can also have a look at input.html.
  • Because of using exponential functions, the curvature, torsion, and nissin constrained functions might cause an error of floating-point-overflow (observed with Intel compilers). Please revised the corresponding exponential factors.
  • According to @thomasgbkruger, the new functions will tend to use a relatively high resolution for coils.

Thanks to @thomasgbkruger for the contribution!