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lammps/src/GPU
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Axel Kohlmeyer df7fe4431f make LAMMPS homepage URL and C++ indicator comments consistent
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..
fix_gpu.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
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fix_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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fix_nh_gpu.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
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fix_nh_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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fix_npt_gpu.cpp
simplify by using utils::strdup() and reorder includes
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fix_npt_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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fix_nve_asphere_gpu.cpp
Feb2021 GPU Package Update - GPU Package Files
2021-02-15 08:20:50 -08:00
fix_nve_asphere_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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fix_nve_gpu.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
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fix_nve_gpu.h
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fix_nvt_gpu.cpp
simplify by using utils::strdup() and reorder includes
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fix_nvt_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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gpu_extra.h
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Install.sh
Remove duplicate line in GPU/Install.sh
2021-02-16 11:14:22 -05:00
pair_beck_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_beck_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_born_coul_long_cs_gpu.cpp
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pair_born_coul_long_cs_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_born_coul_long_gpu.cpp
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pair_born_coul_long_gpu.h
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pair_born_coul_wolf_cs_gpu.cpp
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pair_born_coul_wolf_cs_gpu.h
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pair_born_coul_wolf_gpu.cpp
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pair_born_coul_wolf_gpu.h
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pair_born_gpu.cpp
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pair_born_gpu.h
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pair_buck_coul_cut_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_buck_coul_cut_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_buck_coul_long_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_buck_coul_long_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_buck_gpu.cpp
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pair_buck_gpu.h
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pair_colloid_gpu.cpp
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pair_colloid_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_coul_cut_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_coul_cut_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_coul_debye_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_coul_debye_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_coul_dsf_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_coul_dsf_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_coul_long_cs_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_coul_long_cs_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_coul_long_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_coul_long_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_dpd_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_dpd_gpu.h
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pair_dpd_tstat_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_dpd_tstat_gpu.h
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pair_eam_alloy_gpu.cpp
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pair_eam_alloy_gpu.h
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pair_eam_fs_gpu.cpp
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pair_eam_fs_gpu.h
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pair_eam_gpu.cpp
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pair_eam_gpu.h
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pair_gauss_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_gauss_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_gayberne_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_gayberne_gpu.h
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pair_lj96_cut_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj96_cut_gpu.h
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pair_lj_charmm_coul_charmm_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_charmm_coul_charmm_gpu.h
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pair_lj_charmm_coul_long_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_charmm_coul_long_gpu.h
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pair_lj_class2_coul_long_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_class2_coul_long_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_lj_class2_gpu.cpp
correctly handle r-RESPA for lj/class2 and lj/class2/gpu
2021-04-07 14:26:27 -04:00
pair_lj_class2_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_lj_cubic_gpu.cpp
reorder includes
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pair_lj_cubic_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_lj_cut_coul_cut_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_cut_coul_cut_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_lj_cut_coul_debye_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_cut_coul_debye_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_lj_cut_coul_dsf_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_cut_coul_dsf_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_lj_cut_coul_long_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_cut_coul_long_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_lj_cut_coul_msm_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_cut_coul_msm_gpu.h
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pair_lj_cut_dipole_cut_gpu.cpp
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pair_lj_cut_dipole_cut_gpu.h
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pair_lj_cut_dipole_long_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_cut_dipole_long_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_lj_cut_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_cut_gpu.h
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pair_lj_cut_tip4p_long_gpu.cpp
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pair_lj_cut_tip4p_long_gpu.h
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pair_lj_expand_coul_long_gpu.cpp
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pair_lj_expand_coul_long_gpu.h
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pair_lj_expand_gpu.cpp
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pair_lj_expand_gpu.h
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pair_lj_gromacs_gpu.cpp
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pair_lj_gromacs_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_lj_sdk_coul_long_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_sdk_coul_long_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_lj_sdk_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_sdk_gpu.h
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pair_lj_sf_dipole_sf_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_lj_sf_dipole_sf_gpu.h
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pair_mie_cut_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_mie_cut_gpu.h
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pair_morse_gpu.cpp
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pair_morse_gpu.h
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pair_resquared_gpu.cpp
consistently compare atom->molecular against enumerator constants
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pair_resquared_gpu.h
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pair_soft_gpu.cpp
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pair_soft_gpu.h
make LAMMPS homepage URL and C++ indicator comments consistent
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pair_sw_gpu.cpp
avoid replicated code, consolidate variables and element mapping
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pair_sw_gpu.h
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pair_table_gpu.cpp
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pair_table_gpu.h
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pair_tersoff_gpu.cpp
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pair_tersoff_gpu.h
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pair_tersoff_mod_gpu.cpp
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pair_tersoff_mod_gpu.h
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pair_tersoff_zbl_gpu.cpp
avoid replicated code, consolidate variables and element mapping
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pair_tersoff_zbl_gpu.h
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pair_ufm_gpu.cpp
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pair_ufm_gpu.h
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pair_vashishta_gpu.cpp
avoid replicated code, consolidate variables and element mapping
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pair_vashishta_gpu.h
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pair_yukawa_colloid_gpu.cpp
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pair_yukawa_colloid_gpu.h
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pair_yukawa_gpu.cpp
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pair_yukawa_gpu.h
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pair_zbl_gpu.cpp
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pair_zbl_gpu.h
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pppm_gpu.cpp
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pppm_gpu.h
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README
update docs and sources and for changes in this branch
2019-05-18 15:16:10 -04:00

README 

This package implements GPU optimizations of various LAMMPS styles.

Section 3.7 of the manual gives details of what hardware and Cuda
software is required on your system, and full details on how to build
and use this package.  The KOKKOS package also has GPU-enabled styles.

This package uses an external library provided in lib/gpu which must
be compiled before making LAMMPS.  See the lib/gpu/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 GPU package and its associated library was created by Mike Brown
while at Sandia and ORNL, and by Trung Nguyen while at ORNL.