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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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GOStep
GOStep
Section Calculation Modes::Geometry Optimization
Type float
Initial step for the geometry optimizer. The default is 0.5.
WARNING: in some weird units.
For the FIRE minimizer, default value is 0.1 fs,
and corresponds to the initial time-step for the MD.
Source information
main/geom_opt.F90 : 507
call parse_variable ( sys % namespace , 'GOStep' , default_step , g_opt % step , unit = units_inp % time )