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Contact angle observable reimplemented

Open Marcello-Sega opened this issue 10 months ago • 0 comments

  • implementation of instantaneous contact angles and other geometrical parameters
  • implementation of ellipsoidal linear and nonlinear fitting, with resolution of contact line location and contact angle function
  • new linear least squares and nonlinear fitting of ellipse, with RMSD tested to be lower than the fit to a circumference
  • ellipticity constraint imposed for linear and nonlinear fit
  • new procedure to remove automatically the liquid/solid interface atoms and obtain the liquid/vapur interface
  • more consistent user interface

Marcello-Sega avatar Apr 18 '24 10:04 Marcello-Sega