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--
Geometry Optimization
--- GOCenter
--- GOConstrains
--- GOFireIntegrator
--- GOFireMass
--- GOLineTol
--- GOMaxIter
--- GOMethod
--- GOMinimumMove
--- GOObjective
--- GOStep
--- GOTolerance
--- PDBGOConstrains
--- XSFGOConstrains
--- XYZGOConstrains
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GOCenter
GOCenter
Section Calculation Modes::Geometry Optimization
Type logical
Default no
(Experimental) If set to yes, Octopus centers the geometry at
every optimization step. It also reduces the degrees of
freedom of the optimization by using the translational
invariance.
Source information
main/geom_opt.F90 : 275
call parse_variable ( sys % namespace , 'GOCenter' , . false ., center )