Initialize PE parameters
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Initialize PE parameters Initial MD run Calculate FOM - PowerPoint PPT Presentation


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Initialize PE parameters Initial MD run Calculate FOM. Store initial FOM value and phasespace configuration. Go back to previous phasespace configuration. Select new PE parameters. If FOM is accepted. If FOM not accepted. Run MD Calculate FOM.

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Presentation Transcript

Initialize PE parameters

Initial MD run

Calculate FOM

Store initial FOM value and phasespace configuration

Go back to previous phasespace configuration

Select new PE parameters

If FOM is

accepted

If FOM not

accepted

Run MD

Calculate FOM


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