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Add to GOMC manual: NEMTMC and maybe more info on MultiParticleBrownianFreq #33

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bc118 opened this issue Nov 24, 2023 · 0 comments
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bc118 commented Nov 24, 2023

Please add more information to the GOMC manual on NEMTMCFreq and maybe MultiParticleBrownianFreq also.

  • MultiParticleBrownianFreq is included in the manual. Is there any other options here?

  • Is NEMTMCFreq done and tested, as it is not in the manual? If so, are there examples? How many options are with it...? What are the allowed combinations and ensembles? What are the default settings.?

This is what I have from my past notes for NEMTMC (not sure if the default settings, or it was the final iteration…)

NEMTMCFreq 0.20
RelaxingSteps 25
MultiParticleRelaxing true
MultiParticleBrownianRelaxing false
SampleConfFreq 0.15
LambdaVDWLimit 0.1
ScaleAlpha 0.5
MinSigma 3.0
ScaleCoulomb false

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