Navigation : Manual Input Variables - Atomic Orbitals - Calculation Modes -- Geometry Optimization --- GOCenter --- GOConstrains --- GOFireIntegrator --- GOFireMass --- GOLineTol --- GOMaxIter --- GOMethod --- GOMinimumMove --- GOObjective --- GOStep --- GOTolerance --- PDBGOConstrains --- XSFGOConstrains --- XYZGOConstrains -- Invert KS -- Optimal Control -- Test -- Unoccupied States -- CalculationMode - ClassicalParticles - DFTBPlusInterface - Execution - Hamiltonian - Linear Response - Math - Maxwell - MaxwellStates - Mesh - Output - SCF - States - System - Time-Dependent - Utilities - Alphabetic Index Tutorials Developers Releases PDBGOConstrains A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X PDBGOConstrains Section Calculation Modes::Geometry Optimization Type string Like XYZGOConstrains but in PDB format, as in PDBCoordinates. Source information main/geom_opt.F90