107 lines
2.5 KiB
ReStructuredText
107 lines
2.5 KiB
ReStructuredText
Scatter/gather operations
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=========================
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This section has functions which gather per-atom data from one or more
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processors into a contiguous global list ordered by atom ID. The same
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list is returned to all calling processors. It also contains
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functions which scatter per-atom data from a contiguous global list
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across the processors that own those atom IDs. It also has a
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create_atoms() function which can create new atoms by scattering them
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appropriately to owning processors in the LAMMPS spatial
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decomposition.
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It documents the following functions:
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- :cpp:func:`lammps_gather_atoms`
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- :cpp:func:`lammps_gather_atoms_concat`
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- :cpp:func:`lammps_gather_atoms_subset`
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- :cpp:func:`lammps_scatter_atoms`
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- :cpp:func:`lammps_scatter_atoms_subset`
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- :cpp:func:`lammps_gather_bonds`
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- :cpp:func:`lammps_gather_angles`
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- :cpp:func:`lammps_gather_dihedrals`
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- :cpp:func:`lammps_gather_impropers`
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- :cpp:func:`lammps_gather`
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- :cpp:func:`lammps_gather_concat`
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- :cpp:func:`lammps_gather_subset`
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- :cpp:func:`lammps_scatter`
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- :cpp:func:`lammps_scatter_subset`
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- :cpp:func:`lammps_create_atoms`
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-----------------------
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.. doxygenfunction:: lammps_gather_atoms
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_gather_atoms_concat
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_gather_atoms_subset
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_scatter_atoms
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_scatter_atoms_subset
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_gather_bonds
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_gather_angles
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_gather_dihedrals
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_gather_impropers
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_gather
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_gather_concat
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_gather_subset
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_scatter
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_scatter_subset
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:project: progguide
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-----------------------
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.. doxygenfunction:: lammps_create_atoms(void *handle, int n, const int *id, const int *type, const double *x, const double *v, const int *image, int bexpand)
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:project: progguide
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