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USER-CUDA

Install.sh
README
atom_vec_angle_cuda.cpp
atom_vec_angle_cuda.h
atom_vec_atomic_cuda.cpp
atom_vec_atomic_cuda.h
atom_vec_charge_cuda.cpp
atom_vec_charge_cuda.h
atom_vec_full_cuda.cpp
atom_vec_full_cuda.h
comm_cuda.cpp
comm_cuda.h
compute_pe_cuda.cpp
compute_pe_cuda.h
compute_pressure_cuda.cpp
compute_pressure_cuda.h
compute_temp_cuda.cpp
compute_temp_cuda.h
compute_temp_partial_cuda.cpp
compute_temp_partial_cuda.h
cuda.cpp
cuda.h
cuda_common.h
cuda_data.h
cuda_modify_flags.h
cuda_neigh_list.cpp
cuda_neigh_list.h
cuda_precision.h
cuda_shared.h
domain_cuda.cpp
domain_cuda.h
fft3d_cuda.cpp
fft3d_cuda.h
fft3d_wrap_cuda.cpp
fft3d_wrap_cuda.h
fix_addforce_cuda.cpp
fix_addforce_cuda.h
fix_aveforce_cuda.cpp
fix_aveforce_cuda.h
fix_enforce2d_cuda.cpp
fix_enforce2d_cuda.h
fix_freeze_cuda.cpp
fix_freeze_cuda.h
fix_gravity_cuda.cpp
fix_gravity_cuda.h
fix_nh_cuda.cpp
fix_nh_cuda.h
fix_npt_cuda.cpp
fix_npt_cuda.h
fix_nve_cuda.cpp
fix_nve_cuda.h
fix_nvt_cuda.cpp
fix_nvt_cuda.h
fix_set_force_cuda.cpp
fix_set_force_cuda.h
fix_shake_cuda.cpp
fix_shake_cuda.h
fix_temp_berendsen_cuda.cpp
fix_temp_berendsen_cuda.h
fix_temp_rescale_cuda.cpp
fix_temp_rescale_cuda.h
fix_temp_rescale_limit_cuda.cpp
fix_temp_rescale_limit_cuda.h
fix_viscous_cuda.cpp
fix_viscous_cuda.h
modify_cuda.cpp
modify_cuda.h
neigh_full_cuda.cpp
neighbor_cuda.cpp
neighbor_cuda.h
pair_born_coul_long_cuda.cpp
pair_born_coul_long_cuda.h
pair_buck_coul_cut_cuda.cpp
pair_buck_coul_cut_cuda.h
pair_buck_coul_long_cuda.cpp
pair_buck_coul_long_cuda.h
pair_buck_cuda.cpp
pair_buck_cuda.h
pair_cg_cmm_coul_cut_cuda.cpp
pair_cg_cmm_coul_cut_cuda.h
pair_cg_cmm_coul_debye_cuda.cpp
pair_cg_cmm_coul_debye_cuda.h
pair_cg_cmm_coul_long_cuda.cpp
pair_cg_cmm_coul_long_cuda.h
pair_cg_cmm_cuda.cpp
pair_cg_cmm_cuda.h
pair_eam_alloy_cuda.cpp
pair_eam_alloy_cuda.h
pair_eam_cuda.cpp
pair_eam_cuda.h
pair_eam_fs_cuda.cpp
pair_eam_fs_cuda.h
pair_gran_hooke_cuda.cpp
pair_gran_hooke_cuda.h
pair_lj96_cut_cuda.cpp
pair_lj96_cut_cuda.h
pair_lj_charmm_coul_charmm_cuda.cpp
pair_lj_charmm_coul_charmm_cuda.h
pair_lj_charmm_coul_charmm_implicit_cuda.cpp
pair_lj_charmm_coul_charmm_implicit_cuda.h
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README

The files in this directory are a user-contributed package for LAMMPS.

The person who created these files is Christian Trott at the University of Technology Ilmenau, Germany (christian.trott@tu-ilmenau.de). Contact him directly if you have questions.

The USER-CUDA package provides acceleration of various LAMMPS pair styles, fix styles, compute styles, and long-range Coulombics via PPPM on NVIDIA GPUs.

It's use is documented in this file: lammps/doc/Section_accelerate.html

Examples input scripts that use the USER-CUDA package are provided in lammps/examples/USER/cuda.

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