SurfaceTension.SurfaceTension.SurfaceTensionExactSim Class Reference

Recipe for PCSAFT Surface Tension Application. More...

Inheritance diagram for SurfaceTension.SurfaceTension.SurfaceTensionExactSim:

Public Member Functions
def	task (self, fw_spec)
def	generate_inputfile (self)
	Generate a input file.
def	analyse_output (self)
	analysing the output of the file. More...

Detailed Description

Recipe for PCSAFT Surface Tension Application.

This FireTask controls the execution of the detailed model of the Surface Tension model. The detailed model is a density functional theory implementation based on PC-SAFT. A detailed description of this model can be found in Deliverable 1.3 on the MoDeNa website.

In order to start the detailed model, the input values for the model are first written to the file "in.txt". The detailed model code picks them up from this file and performs the according calculation. Once it is done, the output value is written to the file "out.txt". This FireTask then reads in the calculated surface tension from "out.txt" and inserts this value into the database.

Attention

Precondition

Note

Warning

Definition at line 148 of file SurfaceTension.py.

Member Function Documentation

analyse_output()

def SurfaceTension.SurfaceTension.SurfaceTensionExactSim.analyse_output

(

self

)

analysing the output of the file.

consider adding check for empty file

Definition at line 202 of file SurfaceTension.py.

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The documentation for this class was generated from the following file:

• applications/PUfoam/MoDeNaModels/SurfaceTension/SurfaceTension.py