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subroutine, public | distribution_methods::distribute_molecules_1d (atomic_kind_set, particle_set, local_particles, molecule_kind_set, molecule_set, local_molecules, force_env_section, prev_molecule_kind_set, prev_local_molecules) |
| Distribute molecules and particles. More...
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subroutine, public | distribution_methods::distribute_molecules_2d (cell, atomic_kind_set, particle_set, qs_kind_set, molecule_kind_set, molecule_set, distribution_2d, blacs_env, force_env_section) |
| Distributes the particle pairs creating a 2d distribution optimally suited for quickstep. More...
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