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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_data.h
cuda_modify_flags.h
cuda_neigh_list.cpp
cuda_neigh_list.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_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
pair_lj_charmm_coul_long_cuda.cpp
pair_lj_charmm_coul_long_cuda.h
pair_lj_class2_coul_cut_cuda.cpp
pair_lj_class2_coul_cut_cuda.h
pair_lj_class2_coul_long_cuda.cpp
pair_lj_class2_coul_long_cuda.h
pair_lj_class2_cuda.cpp
pair_lj_class2_cuda.h
pair_lj_cut_coul_cut_cuda.cpp
pair_lj_cut_coul_cut_cuda.h
pair_lj_cut_coul_debye_cuda.cpp
pair_lj_cut_coul_debye_cuda.h
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README

This package provides acceleration of various LAMMPS pair styles, fix styles, compute styles, and long-range Coulombics via PPPM for NVIDIA GPUs.

See this section of the manual to get started:

doc/Section_accelerate.html, sub-section 5.4

There are example scripts for using this package in examples/USER/cuda.

This package uses an external library in lib/cuda which must be compiled before making LAMMPS. See the lib/cuda/README file and the LAMMPS manual for information on building LAMMPS with external libraries. The settings in the Makefile.lammps file in that directory must be correct for LAMMPS to build correctly with this package installed.

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

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