SCALEE: Difference between revisions
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{{TAGDEF|SCALEE|[real]|1 | {{TAGDEF|SCALEE|[real]|1}} | ||
Description: This tag specifies the scaling of the energies and forces. | Description: This tag specifies the scaling of the energies and forces. | ||
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For thermodynamic integration this parameter controls the coupling parameter <math>\lambda</math>. | For thermodynamic integration this parameter controls the coupling parameter <math>\lambda</math>. | ||
This parameter is only used if {{TAG|SCALEE}}<math>\ne</math>1. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 05:20, 30 March 2020
SCALEE = [real]
Default: SCALEE = 1
Description: This tag specifies the scaling of the energies and forces.
For thermodynamic integration this parameter controls the coupling parameter .
This parameter is only used if SCALEE1.
Related Tags and Sections
VCAIMAGES, IMAGES, NCORE IN IMAGE1