ASE Manual Release 3.6.1.2825 CAMd - CampOS Wiki

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ASE Manual, Release 3.6.1.2828 utils, 172 v vasp, 122 vibrations, 145 view, 75 visualize, 103 visualize.vtk, 103 vtk, 107 206 Python Module Index
Symbols $HOME, 9 $PATH, 191 $PYTHONPATH, 191 A Abinit (class in abinit), 113 abinit (module), 112 ABINIT_PP_PATH, 112 ABINIT_SCRIPT, 112 add_adsorbate() (in module ase.lattice.surface), 90 add_axes() (ase.visualize.vtk.atoms.vtkAtoms method), 108 add_cell() (ase.visualize.vtk.atoms.vtkAtoms method), 108 add_forces() (ase.visualize.vtk.atoms.vtkAtoms method), 108 Atoms (class in ase.atoms), 58 atoms (module), 53 INDEX B basics (module), 72 bcc100() (in module ase.lattice.surface), 87 bcc110() (in module ase.lattice.surface), 88 bcc111() (in module ase.lattice.surface), 88 build() (ase.calculators.neighborlist.NeighborList method), 138 Bulk modulus, 172 bulk() (in module ase.structure), 83 BundleTrajectory (class in ase.io.bundletrajectory), 170 C calc (ase.atoms.Atoms attribute), 59 calculate (module), 79 add_scalar_property() (ase.visualize.vtk.grid.vtkAtomicPositions calculate() (ase.calculators.fleur.FLEUR method), 130 method), 108 calculation_required() (ase.calculators.interface.Calculator add_vector_property() (ase.visualize.vtk.grid.vtkAtomicPositions method), 136 method), 109 Calculator (class in ase.calculators.interface), 136 add_velocities() (ase.visualize.vtk.atoms.vtkAtoms calculators (module), 109 method), 108 Castep (class in castep), 131 adjust_forces() (in module constraints), 142 castep (module), 131 adjust_positions() (in module constraints), 142 cell (ase.atoms.Atoms attribute), 59 ag, 72 center() (ase.atoms.Atoms method), 59 Aims (class in FHI-aims), 124 chemical_symbols (in module data), 166 AimsCube (class in FHI-aims), 126 Class, 181 API, 181 close() (ase.io.bundletrajectory.BundleTrajectory append() (ase.atoms.Atoms method), 59 method), 171 ASE, 181 close() (ase.io.trajectory.PickleTrajectory method), 169 ase, 79 constraints (ase.atoms.Atoms attribute), 59 ase (module), 51 constraints (module), 139 ase-gui, 72 Constructor, 181 ase.atom (module), 65 copy() (ase.atoms.Atoms method), 59 ase.dft (module), 162 covalent_radii (in module data), 166 ase.io.trajectory (module), 169 cpk_colors (in module data), 166 ase.lattice.surface (module), 86 ase.transport.calculators.TransportCalculator (class in D transport), 166 ASE2ase, 201 assert() (in module test), 195 Atom (class in ase.atom), 65 atomic_masses (in module data), 166 atomic_names (in module data), 166 atomic_numbers (in module data), 167 data (module), 166 delete_bundle() (ase.io.bundletrajectory.BundleTrajectory class method), 171 DFT, 181 dft (module), 156 dft.dos (module), 161 207
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