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Geometry Optimization
--- GOCenter
--- GOConstrains
--- GOFireIntegrator
--- GOFireMass
--- GOLineTol
--- GOMaxIter
--- GOMethod
--- GOMinimumMove
--- GOObjective
--- GOStep
--- GOTolerance
--- GOType
--- PDBGOConstrains
--- XSFGOConstrains
--- XYZGOConstrains
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GOTolerance
GOTolerance
Section Calculation Modes::Geometry Optimization
Type float
Default 0.001 H/b (0.051 eV/A)
Convergence criterion, for stopping the minimization. In
units of force; minimization is stopped when all forces on
ions are smaller than this criterion, or the
GOMinimumMove is satisfied. If GOTolerance < 0 ,
this criterion is ignored.
Source information
main/geom_opt.F90 : 474
call parse_variable ( sys % namespace , 'GOTolerance' , 0.001_real64 , g_opt % tolgrad , units_inp % force )
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