Adk44: Created page with "The ellipsoid.model file is used to specify the parametric model that GenCoords uses to arrange a set of ellipsoids in a starting pattern. The file has the following forma..."

2019-05-13T11:11:41Z

Created page with "The ellipsoid.model file is used to specify the parametric model that GenCoords uses to arrange a set of ellipsoids in a starting pattern. The file has the following forma..."

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The ellipsoid.model file is used to specify the parametric model that [[GenCoords]] uses to arrange a set of ellipsoids in a starting pattern. The file has the following format:

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''modelType Np Nc Ne aMult rMult''

''param1''

''param2''

''...''

''paramNp''

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*''modelType'' specifies which of the [[GenCoords Models]] is to be used define the distribution of ellipsoids.
*''np'' is the number of parameters needed to drive that model.
*''nc'' is the number of clusters
*''ne'' is the number of ellipsoids in each cluster.
*''aMult'' is a scaling factor for the attractive [[PY]] potential and is dumped into the 4th column of the [[pysites.xyz]] file.
*''rMult'' is a scaling factor for the repulsive [[PY]] potential and is dumped into the 5th column of the [[pysites.xyz]] file.
*''param1, param2,... , paramNp'' are the n parameters needed by that model and are model specific.

Ellipsoid.model - Revision history

Adk44: Created page with "The ellipsoid.model file is used to specify the parametric model that GenCoords uses to arrange a set of ellipsoids in a starting pattern. The file has the following forma..."