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Energy landscape

Started by brjeon, March 17, 2022, 05:02:43 PM

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brjeon

Hello Sir,
I followed the example of chaper 7(Visualization) - Surface.
How can i convert the data(0~65535) in FrameworkSurface.vtk to meaningful data? or where can i get them?
The following is the results of the case i studing
Is the data below the value i want? then what's the unit?

Thanks,
ryun
###################
iteration: 0
min: -1.863204
iteration: 100000
min: -8.577815
iteration: 200000
min: -8.827532
iteration: 300000
min: -8.827532
iteration: 400000
min: -8.827532
iteration: 500000
min: -8.827532
iteration: 600000
min: -8.827532
#####################

David Dubbeldam

Recently, these capabilities are implemented in iRASPA, where you play around with these energy-surfaces on the fly (computed very fast on the GPU).