533 lines
21 KiB
Bash
Executable File
533 lines
21 KiB
Bash
Executable File
# Install/unInstall package files in LAMMPS
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# mode = 0/1/2 for uninstall/install/update
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mode=$1
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# enforce using portable C locale
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LC_ALL=C
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export LC_ALL
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cat <<EOF
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WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING
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WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING
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Support for building the KOKKOS package with the legacy build system using GNU
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make will be removed in Summer 2025. Please switch to using CMake to build
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LAMMPS as soon as possible and report any problems to developers@lammps.org
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or post a bug report issue at https://github.com/lammps/lammps/issues
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WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING
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WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING-WARNING
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EOF
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# arg1 = file, arg2 = file it depends on
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action () {
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if (test $mode = 0) then
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rm -f ../$1
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elif (! cmp -s $1 ../$1) then
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if (test -z "$2" || test -e ../$2) then
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cp $1 ..
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if (test $mode = 2) then
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echo " updating src/$1"
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fi
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fi
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elif (test -n "$2") then
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if (test ! -e ../$2) then
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rm -f ../$1
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fi
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fi
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}
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# force rebuild of files with LMP_KOKKOS switch
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KOKKOS_INSTALLED=0
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if (test -e ../Makefile.package) then
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KOKKOS_INSTALLED=`grep DLMP_KOKKOS ../Makefile.package | wc -l`
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fi
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if (test $mode = 1) then
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if (test $KOKKOS_INSTALLED = 0) then
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touch ../accelerator_kokkos.h
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fi
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elif (test $mode = 0) then
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if (test $KOKKOS_INSTALLED = 1) then
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touch ../accelerator_kokkos.h
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fi
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fi
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# list of files with optional dependencies
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action angle_charmm_kokkos.cpp angle_charmm.cpp
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action angle_charmm_kokkos.h angle_charmm.h
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action angle_class2_kokkos.cpp angle_class2.cpp
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action angle_class2_kokkos.h angle_class2.h
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action angle_cosine_kokkos.cpp angle_cosine.cpp
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action angle_cosine_kokkos.h angle_cosine.h
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action angle_harmonic_kokkos.cpp angle_harmonic.cpp
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action angle_harmonic_kokkos.h angle_harmonic.h
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action angle_hybrid_kokkos.cpp angle_hybrid.cpp
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action angle_hybrid_kokkos.h angle_hybrid.h
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action angle_spica_kokkos.cpp angle_spica.cpp
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action angle_spica_kokkos.h angle_spica.h
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action atom_kokkos.cpp
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action atom_kokkos.h
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action atom_map_kokkos.cpp
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action atom_vec_angle_kokkos.cpp atom_vec_angle.cpp
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action atom_vec_angle_kokkos.h atom_vec_angle.h
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action atom_vec_atomic_kokkos.cpp
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action atom_vec_atomic_kokkos.h
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action atom_vec_bond_kokkos.cpp atom_vec_bond.cpp
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action atom_vec_bond_kokkos.h atom_vec_bond.h
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action atom_vec_charge_kokkos.cpp
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action atom_vec_charge_kokkos.h
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action atom_vec_dipole_kokkos.cpp atom_vec_dipole.cpp
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action atom_vec_dipole_kokkos.h atom_vec_dipole.h
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action atom_vec_dpd_kokkos.cpp atom_vec_dpd.cpp
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action atom_vec_dpd_kokkos.h atom_vec_dpd.h
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action atom_vec_full_kokkos.cpp atom_vec_full.cpp
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action atom_vec_full_kokkos.h atom_vec_full.h
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action atom_vec_hybrid_kokkos.cpp
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action atom_vec_hybrid_kokkos.h
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action atom_vec_kokkos.cpp
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action atom_vec_kokkos.h
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action atom_vec_molecular_kokkos.cpp atom_vec_molecular.cpp
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action atom_vec_molecular_kokkos.h atom_vec_molecular.h
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action atom_vec_sphere_kokkos.cpp atom_vec_sphere.cpp
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action atom_vec_sphere_kokkos.h atom_vec_sphere.h
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action atom_vec_spin_kokkos.cpp atom_vec_spin.cpp
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action atom_vec_spin_kokkos.h atom_vec_spin.h
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action bond_class2_kokkos.cpp bond_class2.cpp
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action bond_class2_kokkos.h bond_class2.h
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action bond_fene_kokkos.cpp bond_fene.cpp
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action bond_fene_kokkos.h bond_fene.h
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action bond_harmonic_kokkos.cpp bond_harmonic.cpp
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action bond_harmonic_kokkos.h bond_harmonic.h
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action bond_hybrid_kokkos.cpp bond_hybrid.cpp
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action bond_hybrid_kokkos.h bond_hybrid.h
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action comm_kokkos.cpp
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action comm_kokkos.h
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action comm_tiled_kokkos.cpp
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action comm_tiled_kokkos.h
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action compute_ave_sphere_atom_kokkos.cpp compute_ave_sphere_atom.cpp
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action compute_ave_sphere_atom_kokkos.h compute_ave_sphere_atom.h
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action compute_coord_atom_kokkos.cpp
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action compute_coord_atom_kokkos.h
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action compute_erotate_sphere_kokkos.cpp
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action compute_erotate_sphere_kokkos.h
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action compute_composition_atom_kokkos.cpp compute_composition_atom.cpp
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action compute_composition_atom_kokkos.h compute_composition_atom.h
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action compute_orientorder_atom_kokkos.cpp
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action compute_orientorder_atom_kokkos.h
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action compute_sna_grid_kokkos.cpp compute_sna_grid.cpp
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action compute_sna_grid_kokkos.h compute_sna_grid.h
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action compute_sna_grid_kokkos_impl.h compute_sna_grid.cpp
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action compute_sna_grid_local_kokkos.cpp compute_sna_grid_local.cpp
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action compute_sna_grid_local_kokkos.h compute_sna_grid_local.h
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action compute_sna_grid_local_kokkos_impl.h compute_sna_grid_local.cpp
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action compute_gaussian_grid_local_kokkos.cpp compute_gaussian_grid_local.cpp
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action compute_gaussian_grid_local_kokkos.h compute_gaussian_grid_local.h
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action compute_temp_deform_kokkos.cpp
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action compute_temp_deform_kokkos.h
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action compute_temp_kokkos.cpp
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action compute_temp_kokkos.h
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action dihedral_charmm_kokkos.cpp dihedral_charmm.cpp
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action dihedral_charmm_kokkos.h dihedral_charmm.h
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action dihedral_charmmfsw_kokkos.cpp dihedral_charmmfsw.cpp
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action dihedral_charmmfsw_kokkos.h dihedral_charmmfsw.h
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action dihedral_class2_kokkos.cpp dihedral_class2.cpp
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action dihedral_class2_kokkos.h dihedral_class2.h
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action dihedral_harmonic_kokkos.cpp dihedral_harmonic.cpp
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action dihedral_harmonic_kokkos.h dihedral_harmonic.h
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action dihedral_opls_kokkos.cpp dihedral_opls.cpp
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action dihedral_opls_kokkos.h dihedral_opls.h
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action dihedral_hybrid_kokkos.cpp dihedral_hybrid.cpp
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action dihedral_hybrid_kokkos.h dihedral_hybrid.h
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action domain_kokkos.cpp
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action domain_kokkos.h
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action dynamical_matrix_kokkos.cpp dynamical_matrix.cpp
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action dynamical_matrix_kokkos.h dynamical_matrix.h
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action fft3d_kokkos.cpp fft3d.cpp
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action fft3d_kokkos.h fft3d.h
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action fftdata_kokkos.h fft3d.h
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action fix_acks2_reaxff_kokkos.cpp fix_acks2_reaxff.cpp
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action fix_acks2_reaxff_kokkos.h fix_acks2_reaxff.h
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action fix_cmap_kokkos.cpp fix_cmap.cpp
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action fix_cmap_kokkos.h fix_cmap.h
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action fix_colvars_kokkos.cpp fix_colvars.cpp
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action fix_colvars_kokkos.h fix_colvars.h
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action fix_deform_kokkos.cpp
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action fix_deform_kokkos.h
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action fix_dpd_energy_kokkos.cpp fix_dpd_energy.cpp
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action fix_dpd_energy_kokkos.h fix_dpd_energy.h
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action fix_dt_reset_kokkos.cpp
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action fix_dt_reset_kokkos.h
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action fix_enforce2d_kokkos.cpp
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action fix_enforce2d_kokkos.h
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action fix_efield_kokkos.cpp
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action fix_efield_kokkos.h
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action fix_eos_table_rx_kokkos.cpp fix_eos_table_rx.cpp
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action fix_eos_table_rx_kokkos.h fix_eos_table_rx.h
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action fix_freeze_kokkos.cpp fix_freeze.cpp
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action fix_freeze_kokkos.h fix_freeze.h
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action fix_gravity_kokkos.cpp
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action fix_gravity_kokkos.h
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action fix_langevin_kokkos.cpp
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action fix_langevin_kokkos.h
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action fix_minimize_kokkos.cpp
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action fix_minimize_kokkos.h
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action fix_momentum_kokkos.cpp
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action fix_momentum_kokkos.h
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action fix_neigh_history_kokkos.cpp
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action fix_neigh_history_kokkos.h
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action fix_nh_kokkos.cpp
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action fix_nh_kokkos.h
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action fix_nph_kokkos.cpp
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action fix_nph_kokkos.h
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action fix_npt_kokkos.cpp
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action fix_npt_kokkos.h
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action fix_nve_kokkos.cpp
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action fix_nve_kokkos.h
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action fix_nve_limit_kokkos.cpp
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action fix_nve_limit_kokkos.h
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action fix_nve_sphere_kokkos.cpp
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action fix_nve_sphere_kokkos.h
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action fix_nvt_kokkos.cpp
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action fix_nvt_kokkos.h
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action fix_nvt_sllod_kokkos.cpp
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action fix_nvt_sllod_kokkos.h
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action fix_property_atom_kokkos.cpp
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action fix_property_atom_kokkos.h
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action fix_qeq_reaxff_kokkos.cpp fix_qeq_reaxff.cpp
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action fix_qeq_reaxff_kokkos.h fix_qeq_reaxff.h
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action fix_reaxff_bonds_kokkos.cpp fix_reaxff_bonds.cpp
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action fix_reaxff_bonds_kokkos.h fix_reaxff_bonds.h
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action compute_reaxff_atom_kokkos.cpp compute_reaxff_atom.cpp
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action compute_reaxff_atom_kokkos.h compute_reaxff_atom.h
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action fix_reaxff_species_kokkos.cpp fix_reaxff_species.cpp
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action fix_reaxff_species_kokkos.h fix_reaxff_species.h
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action fix_recenter_kokkos.cpp
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action fix_recenter_kokkos.h
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action fix_rx_kokkos.cpp fix_rx.cpp
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action fix_rx_kokkos.h fix_rx.h
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action fix_setforce_kokkos.cpp
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action fix_setforce_kokkos.h
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action fix_shake_kokkos.cpp fix_shake.cpp
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action fix_shake_kokkos.h fix_shake.h
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action fix_shardlow_kokkos.cpp fix_shardlow.cpp
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action fix_shardlow_kokkos.h fix_shardlow.h
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action fix_spring_self_kokkos.cpp
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action fix_spring_self_kokkos.h
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action fix_temp_berendsen_kokkos.cpp
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action fix_temp_berendsen_kokkos.h
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action fix_temp_rescale_kokkos.cpp
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action fix_temp_rescale_kokkos.h
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action fix_viscous_kokkos.cpp
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action fix_viscous_kokkos.h
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action fix_wall_flow_kokkos.cpp fix_wall_flow.cpp
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action fix_wall_flow_kokkos.h fix_wall_flow.h
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action fix_wall_gran_kokkos.cpp fix_wall_gran.cpp
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action fix_wall_gran_kokkos.h fix_wall_gran.h
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action fix_wall_gran_old.cpp fix_wall_gran.cpp
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action fix_wall_gran_old.h fix_wall_gran.h
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action fix_wall_lj93_kokkos.cpp
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action fix_wall_lj93_kokkos.h
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action fix_wall_reflect_kokkos.cpp
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action fix_wall_reflect_kokkos.h
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action fix_wall_region_kokkos.cpp
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action fix_wall_region_kokkos.h
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action grid3d_kokkos.cpp fft3d.h
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action grid3d_kokkos.h fft3d.h
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action group_kokkos.h
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action improper_class2_kokkos.cpp improper_class2.cpp
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action improper_class2_kokkos.h improper_class2.h
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action improper_harmonic_kokkos.cpp improper_harmonic.cpp
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action improper_harmonic_kokkos.h improper_harmonic.h
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action improper_hybrid_kokkos.cpp improper_hybrid.cpp
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action improper_hybrid_kokkos.h improper_hybrid.h
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action kissfft_kokkos.h kissfft.h
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action kokkos_base_fft.h fft3d.h
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action kokkos_base.h
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action kokkos_few.h
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action kokkos_type.h
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action kokkos.cpp
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action kokkos.h
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action math_special_kokkos.cpp
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action math_special_kokkos.h
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action meam_dens_final_kokkos.h meam_dens_final.cpp
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action meam_dens_init_kokkos.h meam_dens_init.cpp
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action meam_force_kokkos.h meam_force.cpp
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action meam_funcs_kokkos.h meam_funcs.cpp
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action meam_impl_kokkos.h meam_impl.cpp
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action meam_kokkos.h meam.h
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action meam_setup_done_kokkos.h meam_setup_done.cpp
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action memory_kokkos.h
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action min_cg_kokkos.cpp
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action min_cg_kokkos.h
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action min_kokkos.cpp
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action min_kokkos.h
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action min_linesearch_kokkos.cpp
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action min_linesearch_kokkos.h
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action mliap_data_kokkos.cpp mliap_data.cpp
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action mliap_data_kokkos.h mliap_data.h
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action mliap_descriptor_kokkos.h mliap_descriptor.h
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action mliap_descriptor_so3_kokkos.cpp mliap_descriptor_so3.cpp
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action mliap_descriptor_so3_kokkos.h mliap_descriptor_so3.h
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action mliap_model_kokkos.h mliap_model.h
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action mliap_model_linear_kokkos.cpp mliap_model_linear.cpp
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action mliap_model_linear_kokkos.h mliap_model_linear.h
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action mliap_model_python_kokkos.cpp mliap_model_linear.cpp
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action mliap_model_python_kokkos.h mliap_model_linear.h
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action mliap_so3_kokkos.cpp mliap_so3.cpp
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action mliap_so3_kokkos.h mliap_so3.h
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action mliap_unified_kokkos.cpp mliap_unified.cpp
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action mliap_unified_kokkos.h mliap_unified.h
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action modify_kokkos.cpp
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action modify_kokkos.h
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action nbin_kokkos.cpp
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action nbin_kokkos.h
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action nbin_ssa_kokkos.cpp nbin_ssa.cpp
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action nbin_ssa_kokkos.h nbin_ssa.h
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action neigh_bond_kokkos.cpp
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action neigh_bond_kokkos.h
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action neigh_list_kokkos.cpp
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action neigh_list_kokkos.h
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action neighbor_kokkos.cpp
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action neighbor_kokkos.h
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action npair_copy_kokkos.cpp
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action npair_copy_kokkos.h
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action npair_halffull_kokkos.cpp
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action npair_halffull_kokkos.h
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action npair_kokkos.cpp
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action npair_kokkos.h
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action npair_skip_kokkos.cpp
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action npair_skip_kokkos.h
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action npair_ssa_kokkos.cpp npair_half_bin_newton_ssa.cpp
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action npair_ssa_kokkos.h npair_half_bin_newton_ssa.h
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action npair_trim_kokkos.cpp
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action npair_trim_kokkos.h
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action pack_kokkos.h pack.h
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action pair_adp_kokkos.cpp pair_adp.cpp
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action pair_adp_kokkos.h pair_adp.h
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action pair_brownian_kokkos.cpp pair_brownian.cpp
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action pair_brownian_kokkos.h pair_brownian.h
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action pair_buck_coul_cut_kokkos.cpp
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action pair_buck_coul_cut_kokkos.h
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action pair_buck_coul_long_kokkos.cpp pair_buck_coul_long.cpp
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action pair_buck_coul_long_kokkos.h pair_buck_coul_long.h
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action pair_buck_kokkos.cpp
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action pair_buck_kokkos.h
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action pair_coul_cut_kokkos.cpp
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action pair_coul_cut_kokkos.h
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action pair_coul_debye_kokkos.cpp
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action pair_coul_debye_kokkos.h
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action pair_coul_dsf_kokkos.cpp
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action pair_coul_dsf_kokkos.h
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action pair_coul_long_kokkos.cpp pair_coul_long.cpp
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action pair_coul_long_kokkos.h pair_coul_long.h
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action pair_coul_wolf_kokkos.cpp
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action pair_coul_wolf_kokkos.h
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action pair_dpd_ext_kokkos.cpp pair_dpd_ext.cpp
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action pair_dpd_ext_kokkos.h pair_dpd_ext.h
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action pair_dpd_ext_tstat_kokkos.cpp pair_dpd_ext_tstat.cpp
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action pair_dpd_ext_tstat_kokkos.h pair_dpd_ext_tstat.h
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action pair_dpd_fdt_energy_kokkos.cpp pair_dpd_fdt_energy.cpp
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action pair_dpd_fdt_energy_kokkos.h pair_dpd_fdt_energy.h
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action pair_dpd_kokkos.cpp pair_dpd.cpp
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action pair_dpd_kokkos.h pair_dpd.h
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action pair_dpd_tstat_kokkos.cpp pair_dpd_tstat.cpp
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action pair_dpd_tstat_kokkos.h pair_dpd_tstat.h
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action pair_eam_alloy_kokkos.cpp pair_eam_alloy.cpp
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action pair_eam_alloy_kokkos.h pair_eam_alloy.h
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action pair_eam_fs_kokkos.cpp pair_eam_fs.cpp
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action pair_eam_fs_kokkos.h pair_eam_fs.h
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action pair_eam_kokkos.cpp pair_eam.cpp
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action pair_eam_kokkos.h pair_eam.h
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action pair_exp6_rx_kokkos.cpp pair_exp6_rx.cpp
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action pair_exp6_rx_kokkos.h pair_exp6_rx.h
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action pair_gran_hooke_history_kokkos.cpp pair_gran_hooke_history.cpp
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action pair_gran_hooke_history_kokkos.h pair_gran_hooke_history.h
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action pair_hybrid_kokkos.cpp
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action pair_hybrid_kokkos.h
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action pair_hybrid_overlay_kokkos.cpp
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action pair_hybrid_overlay_kokkos.h
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action pair_kokkos.h
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action pair_lj_charmm_coul_charmm_implicit_kokkos.cpp pair_lj_charmm_coul_charmm_implicit.cpp
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action pair_lj_charmm_coul_charmm_implicit_kokkos.h pair_lj_charmm_coul_charmm_implicit.h
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action pair_lj_charmm_coul_charmm_kokkos.cpp pair_lj_charmm_coul_charmm.cpp
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action pair_lj_charmm_coul_charmm_kokkos.h pair_lj_charmm_coul_charmm.h
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action pair_lj_charmm_coul_long_kokkos.cpp pair_lj_charmm_coul_long.cpp
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action pair_lj_charmm_coul_long_kokkos.h pair_lj_charmm_coul_long.h
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action pair_lj_charmmfsw_coul_long_kokkos.cpp pair_lj_charmmfsw_coul_long.cpp
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action pair_lj_charmmfsw_coul_long_kokkos.h pair_lj_charmmfsw_coul_long.h
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action pair_lj_class2_coul_cut_kokkos.cpp pair_lj_class2_coul_cut.cpp
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action pair_lj_class2_coul_cut_kokkos.h pair_lj_class2_coul_cut.h
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action pair_lj_class2_coul_long_kokkos.cpp pair_lj_class2_coul_long.cpp
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action pair_lj_class2_coul_long_kokkos.h pair_lj_class2_coul_long.h
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action pair_lj_class2_kokkos.cpp pair_lj_class2.cpp
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action pair_lj_class2_kokkos.h pair_lj_class2.h
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action pair_lj_cut_coul_cut_kokkos.cpp
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action pair_lj_cut_coul_cut_kokkos.h
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action pair_lj_cut_coul_debye_kokkos.cpp pair_lj_cut_coul_debye.cpp
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action pair_lj_cut_coul_debye_kokkos.h pair_lj_cut_coul_debye.h
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action pair_lj_cut_coul_dsf_kokkos.cpp pair_lj_cut_coul_dsf.cpp
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action pair_lj_cut_coul_dsf_kokkos.h pair_lj_cut_coul_dsf.h
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action pair_lj_cut_coul_long_kokkos.cpp pair_lj_cut_coul_long.cpp
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action pair_lj_cut_coul_long_kokkos.h pair_lj_cut_coul_long.h
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action pair_lj_cut_dipole_cut_kokkos.cpp pair_lj_cut_dipole_cut.cpp
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action pair_lj_cut_dipole_cut_kokkos.h pair_lj_cut_dipole_cut.h
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action pair_lj_cut_kokkos.cpp
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action pair_lj_cut_kokkos.h
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action pair_lj_expand_coul_long_kokkos.cpp pair_lj_expand_coul_long.cpp
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action pair_lj_expand_coul_long_kokkos.h pair_lj_expand_coul_long.h
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action pair_lj_expand_kokkos.cpp
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action pair_lj_expand_kokkos.h
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action pair_lj_gromacs_coul_gromacs_kokkos.cpp pair_lj_gromacs_coul_gromacs.cpp
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action pair_lj_gromacs_coul_gromacs_kokkos.h pair_lj_gromacs_coul_gromacs.h
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action pair_lj_gromacs_kokkos.cpp pair_lj_gromacs.cpp
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action pair_lj_gromacs_kokkos.h pair_lj_gromacs.h
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action pair_lj_spica_coul_long_kokkos.cpp pair_lj_spica_coul_long.cpp
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action pair_lj_spica_coul_long_kokkos.h pair_lj_spica_coul_long.h
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action pair_lj_spica_kokkos.cpp pair_lj_spica.cpp
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action pair_lj_spica_kokkos.h pair_lj_spica.h
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action pair_meam_kokkos.cpp pair_meam.cpp
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action pair_meam_kokkos.h pair_meam.h
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action pair_meam_ms_kokkos.cpp pair_meam_ms.cpp
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action pair_meam_ms_kokkos.h pair_meam_ms.h
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action pair_mliap_kokkos.cpp pair_mliap.cpp
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action pair_mliap_kokkos.h pair_mliap.h
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action pair_morse_kokkos.cpp
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action pair_morse_kokkos.h
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action pair_multi_lucy_rx_kokkos.cpp pair_multi_lucy_rx.cpp
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action pair_multi_lucy_rx_kokkos.h pair_multi_lucy_rx.h
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action pair_pace_extrapolation_kokkos.cpp pair_pace_extrapolation.cpp
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action pair_pace_extrapolation_kokkos.h pair_pace_extrapolation.h
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action pair_pod_kokkos.cpp pair_pod.cpp
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action pair_pod_kokkos.h pair_pod.h
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action pair_pace_kokkos.cpp pair_pace.cpp
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action pair_pace_kokkos.h pair_pace.h
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action pair_reaxff_kokkos.cpp pair_reaxff.cpp
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action pair_reaxff_kokkos.h pair_reaxff.h
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action pair_snap_kokkos_impl.h pair_snap.cpp
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action pair_snap_kokkos.cpp pair_snap.cpp
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action pair_snap_kokkos.h pair_snap.h
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action pair_soft_kokkos.cpp
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action pair_soft_kokkos.h
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action pair_sw_kokkos.cpp pair_sw.cpp
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action pair_sw_kokkos.h pair_sw.h
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action pair_table_kokkos.cpp
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action pair_table_kokkos.h
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action pair_table_rx_kokkos.cpp pair_table_rx.cpp
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action pair_table_rx_kokkos.h pair_table_rx.h
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action pair_tersoff_kokkos.cpp pair_tersoff.cpp
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action pair_tersoff_kokkos.h pair_tersoff.h
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action pair_tersoff_mod_kokkos.cpp pair_tersoff_mod.cpp
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action pair_tersoff_mod_kokkos.h pair_tersoff_mod.h
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action pair_tersoff_zbl_kokkos.cpp pair_tersoff_zbl.cpp
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action pair_tersoff_zbl_kokkos.h pair_tersoff_zbl.h
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action pair_uf3_kokkos.cpp pair_uf3.cpp
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action pair_uf3_kokkos.h pair_uf3.h
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action pair_vashishta_kokkos.cpp pair_vashishta.cpp
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action pair_vashishta_kokkos.h pair_vashishta.h
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action pair_yukawa_kokkos.cpp
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action pair_yukawa_kokkos.h
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action pair_yukawa_colloid_kokkos.cpp pair_yukawa_colloid.cpp
|
|
action pair_yukawa_colloid_kokkos.h pair_yukawa_colloid.h
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|
action pair_zbl_kokkos.cpp
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|
action pair_zbl_kokkos.h
|
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action pppm_kokkos.cpp pppm.cpp
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action pppm_kokkos.h pppm.h
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action rand_pool_wrap_kokkos.cpp
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action rand_pool_wrap_kokkos.h
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|
action region_block_kokkos.cpp
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action region_block_kokkos.h
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action region_sphere_kokkos.cpp
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action region_sphere_kokkos.h
|
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action remap_kokkos.cpp remap.cpp
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action remap_kokkos.h remap.h
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action sna_kokkos_impl.h sna.cpp
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action sna_kokkos.h sna.h
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action third_order_kokkos.cpp dynamical_matrix.cpp
|
|
action third_order_kokkos.h dynamical_matrix.h
|
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action transpose_helper_kokkos.h
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action verlet_kokkos.cpp
|
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action verlet_kokkos.h
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|
|
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# Install cython pyx file only if non-KOKKOS version is present
|
|
action mliap_model_python_couple_kokkos.pyx mliap_model_python_couple.pyx
|
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action mliap_unified_couple_kokkos.pyx mliap_unified_couple.pyx
|
|
|
|
# edit 2 Makefile.package files to include/exclude package info
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|
|
|
if (test $1 = 1) then
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|
|
|
if (test -e ../Makefile.package) then
|
|
sed -i -e 's/[^ \t]*kokkos[^ \t]* //g' ../Makefile.package
|
|
sed -i -e 's/[^ \t]*KOKKOS[^ \t]* //g' ../Makefile.package
|
|
sed -i -e 's|^PKG_INC =[ \t]*|&-DLMP_KOKKOS |' ../Makefile.package
|
|
# sed -i -e 's|^PKG_PATH =[ \t]*|&-L..\/..\/lib\/kokkos\/core\/src |' ../Makefile.package
|
|
sed -i -e 's|^PKG_CPP_DEPENDS =[ \t]*|&$(KOKKOS_CPP_DEPENDS) |' ../Makefile.package
|
|
sed -i -e 's|^PKG_LIB =[ \t]*|&$(KOKKOS_LIBS) |' ../Makefile.package
|
|
sed -i -e 's|^PKG_LINK_DEPENDS =[ \t]*|&$(KOKKOS_LINK_DEPENDS) |' ../Makefile.package
|
|
sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(KOKKOS_CPPFLAGS) $(KOKKOS_CXXFLAGS) |' ../Makefile.package
|
|
sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(KOKKOS_LDFLAGS) |' ../Makefile.package
|
|
# sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(kokkos_SYSPATH) |' ../Makefile.package
|
|
fi
|
|
|
|
if (test -e ../Makefile.package.settings) then
|
|
sed -i -e '/CXX\ =\ \$(CC)/d' ../Makefile.package.settings
|
|
sed -i -e '/^[ \t]*include.*kokkos.*$/d' ../Makefile.package.settings
|
|
# multiline form needed for BSD sed on Macs
|
|
sed -i -e '4 i \
|
|
CXX = $(CC)
|
|
' ../Makefile.package.settings
|
|
sed -i -e '5 i \
|
|
include ..\/..\/lib\/kokkos\/Makefile.kokkos
|
|
' ../Makefile.package.settings
|
|
fi
|
|
|
|
# comb/omp triggers a persistent bug in nvcc. deleting it.
|
|
rm -f ../*_comb_omp.*
|
|
|
|
elif (test $1 = 2) then
|
|
|
|
# comb/omp triggers a persistent bug in nvcc. deleting it.
|
|
rm -f ../*_comb_omp.*
|
|
|
|
elif (test $1 = 0) then
|
|
|
|
if (test -e ../Makefile.package) then
|
|
sed -i -e 's/[^ \t]*kokkos[^ \t]* //g' ../Makefile.package
|
|
sed -i -e 's/[^ \t]*KOKKOS[^ \t]* //g' ../Makefile.package
|
|
fi
|
|
|
|
if (test -e ../Makefile.package.settings) then
|
|
sed -i -e '/CXX\ =\ \$(CC)/d' ../Makefile.package.settings
|
|
sed -i -e '/^[ \t]*include.*kokkos.*$/d' ../Makefile.package.settings
|
|
fi
|
|
|
|
fi
|
|
|
|
# Python cython stuff. Only need to convert/remove sources.
|
|
# Package settings were already done in ML-IAP package Install.sh script.
|
|
|
|
if (test $1 = 1) then
|
|
if (type cythonize > /dev/null 2>&1 && test -e ../python_impl.cpp) then
|
|
cythonize -3 ../mliap_model_python_couple_kokkos.pyx
|
|
cythonize -3 ../mliap_unified_couple_kokkos.pyx
|
|
fi
|
|
|
|
elif (test $1 = 0) then
|
|
rm -f ../mliap_model_python_couple_kokkos.cpp ../mliap_model_python_couple_kokkos.h
|
|
rm -f ../mliap_unified_couple_kokkos.cpp ../mliap_unified_couple_kokkos.h
|
|
|
|
elif (test $1 = 2) then
|
|
if (type cythonize > /dev/null 2>&1 && test -e ../python_impl.cpp) then
|
|
cythonize -3 ../mliap_model_python_couple_kokkos.pyx
|
|
cythonize -3 ../mliap_unified_couple_kokkos.pyx
|
|
else
|
|
rm -f ../mliap_model_python_couple_kokkos.cpp ../mliap_model_python_couple_kokkos.h
|
|
rm -f ../mliap_unified_couple_kokkos.cpp ../mliap_unified_couple_kokkos.h
|
|
fi
|
|
fi
|