Performance Portable Molecular Dynamics

Contents:

• Introduction
  • Publications / Citation
  • License
• Installation
  • Dependencies and Installation
    • Environment Variables
• Examples
  • Particle Data
    • ParticleDat Object
    • PositionDat Object
  • State Containers
    • Base Case
    • Particle Data Operations
      • Adding Particles
      • Removing Particles
      • Modifying Particle Data
    • Initialise Data Scatter Example
  • Kernels
    • Constants
    • ParticleLoop Example
  • Velocity-Verlet Integrator
  • Low-level Argon Example

Generated Module Documentation

These sections are generated from the source code and may not be readily digestible.

• ppmd package
  • Subpackages
    • ppmd.config package
      • Submodules
        • ppmd.config.config module
    • ppmd.coulomb package
      • Submodules
        • ppmd.coulomb.cached module
        • ppmd.coulomb.direct module
        • ppmd.coulomb.ewald module
        • ppmd.coulomb.ewald_half module
        • ppmd.coulomb.fmm module
        • ppmd.coulomb.fmm_cuda module
        • ppmd.coulomb.fmm_interaction_lists module
        • ppmd.coulomb.fmm_local module
        • ppmd.coulomb.fmm_pbc module
        • ppmd.coulomb.lm module
        • ppmd.coulomb.mm module
        • ppmd.coulomb.mm_lm_common module
        • ppmd.coulomb.octal module
        • ppmd.coulomb.sph_harm module
        • ppmd.coulomb.wigner module
    • ppmd.cuda package
      • Submodules
        • ppmd.cuda.cuda_base module
        • ppmd.cuda.cuda_build module
        • ppmd.cuda.cuda_cell module
        • ppmd.cuda.cuda_config module
        • ppmd.cuda.cuda_data module
        • ppmd.cuda.cuda_domain module
        • ppmd.cuda.cuda_generation module
        • ppmd.cuda.cuda_halo module
        • ppmd.cuda.cuda_loop module
        • ppmd.cuda.cuda_mpi module
        • ppmd.cuda.cuda_pairloop module
        • ppmd.cuda.cuda_runtime module
        • ppmd.cuda.cuda_state module
    • ppmd.data package
      • Submodules
        • ppmd.data.data_movement module
        • ppmd.data.global_array module
        • ppmd.data.particle_dat module
        • ppmd.data.scalar_array module
    • ppmd.lib package
      • Submodules
        • ppmd.lib.build module
        • ppmd.lib.common module
        • ppmd.lib.compiler module
    • ppmd.loop package
      • Submodules
        • ppmd.loop.particle_loop module
        • ppmd.loop.particle_loop_omp module
    • ppmd.modules package
      • Submodules
        • ppmd.modules.code_timer module
        • ppmd.modules.dsl_array_access module
        • ppmd.modules.dsl_cell_gather_scatter module
        • ppmd.modules.dsl_cell_list_loop module
        • ppmd.modules.dsl_kernel_symbols module
        • ppmd.modules.dsl_record_local module
        • ppmd.modules.dsl_seq_comp module
        • ppmd.modules.dsl_stride_comp module
        • ppmd.modules.dsl_struct_comp module
        • ppmd.modules.module module
        • ppmd.modules.mt19937 module
    • ppmd.pairloop package
      • Submodules
        • ppmd.pairloop.alltoall module
        • ppmd.pairloop.alltoall_omp module
        • ppmd.pairloop.base module
        • ppmd.pairloop.cellbycell module
        • ppmd.pairloop.cellbycell_omp module
        • ppmd.pairloop.list_controller module
        • ppmd.pairloop.neighbour_matrix_omp module
        • ppmd.pairloop.neighbour_matrix_omp_sub module
        • ppmd.pairloop.neighbourlist module
        • ppmd.pairloop.neighbourlist_14cell module
        • ppmd.pairloop.neighbourlist_27cell module
        • ppmd.pairloop.neighbourlist_omp module
        • ppmd.pairloop.state_handler module
        • ppmd.pairloop.sub_cell module
        • ppmd.pairloop.sub_cellbycell_omp module
    • ppmd.pygcl package
      • Submodules
        • ppmd.pygcl.halo_exchange_3d module
    • ppmd.utility package
      • Subpackages
        • ppmd.utility.potential package
          • Submodules
            • ppmd.utility.potential.c_potential module
            • ppmd.utility.potential.sym_potential module
      • Submodules
        • ppmd.utility.dl_monte module
        • ppmd.utility.dl_poly module
        • ppmd.utility.high_method module
        • ppmd.utility.lattice module
        • ppmd.utility.sanitise module
        • ppmd.utility.xyz module
  • Submodules
    • ppmd.access module
    • ppmd.cell module
    • ppmd.domain module
    • ppmd.halo module
    • ppmd.host module
    • ppmd.kernel module
    • ppmd.method module
    • ppmd.mpi module
    • ppmd.opt module
    • ppmd.pio module
    • ppmd.plain_cell_list module
    • ppmd.runtime module
    • ppmd.state module
    • ppmd.state_modifier module

Indices and tables

• Index

• Module Index

• Search Page