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-- Object orientation in Octopus
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Grid
--- Simulation Box
--- Mesh implementation
--- Mesh Setup
--- Mesh operations
--- Derivatives
--- Coordinate systems
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Miscellanea
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Electrons
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Multisystem framework
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Systems in Octopus
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Propagators
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States
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Ions
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Hamiltonian
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Eigensolver
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Main routines
-- Ion-Ion interaction
-- Linear Response
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Simulation Box
The simulation box is defined by the class:
which is derived from box_t .
The main function of the simulation box is simul_box_contains_points
, which determines for a set of points whether they are inside or outside the simulation box.
Definition of simul_box_contains_points()