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Changed the example variables from override_VDWGeometricSigma to VDWGeometricSigma #30

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merged 1 commit into from
Oct 8, 2023

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@bc118 bc118 commented Oct 8, 2023

This variable (VDWGeometricSigma) is the variable name in GOMC which changes the mixing rules. It is also entered as a bool is the GOMC conf file. This is a flag, as mosdef-GOMC auto-selects the value based on the forcefield xml file or the default in mosdef; therefore, it only needs to be a flag here, not a requirement.

I changed it to match GOMC’s input in the mosdef-dihedral fit software. This way it will be a familiar input variable.

@bc118 bc118 merged commit af1afef into GOMC-WSU:main Oct 8, 2023
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@bc118 bc118 deleted the change_to_VDWGeometricSigma branch August 24, 2024 21:01
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