pytim
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Contact angle observable reimplemented
- 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