Diffusion lammps ea4d11fc5eff

Merge branch 'master' into USER-DPD_kokkos_testing
ea4d11fc5eff
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Authored by Stan Moore <stamoor@sandia.gov> on Jun 26 2017, 17:36.

Description

Merge branch 'master' into USER-DPD_kokkos_testing

Details

Committed

Stan Moore <stamoor@sandia.gov>

Jun 26 2017, 17:36

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS67a0183b3332: Removing atom2bin change since ssa neighlists aren't be used for occasional…
rLAMMPS1370385c8c9f: patch 23Jun17

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Stan Moore <stamoor@sandia.gov> committed rLAMMPSea4d11fc5eff: Merge branch 'master' into USER-DPD_kokkos_testing (authored by Stan Moore <stamoor@sandia.gov>).Jun 26 2017, 17:36

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.

Commit	Author	Details	Committed
1370385c8c9f	Steve Plimpton	patch 23Jun17	Jun 24 2017
2240c3d7d3a8	sjplimp/GitHub	Merge pull request #548 from lammps/doc-update	Jun 24 2017
4fcbd58d5a32	Steve Plimpton	doc page clarifications for CHARMM energy and dipole pre-factors	Jun 23 2017
25a5d12af386	sjplimp/GitHub	Merge pull request #541 from lammps/charmm	Jun 23 2017
feb500b52684	Axel Kohlmeyer	reword the kspace_modify fftbench keyword docs to reflect the current state (i.	Jun 23 2017
a714b5774132	Axel Kohlmeyer	make neighbor list reset message for minimization more explicit	Jun 23 2017
c5430b0a2607	Axel Kohlmeyer	print info messages when changing qqr2e constant in fully CHARMM compatible…	Jun 23 2017
60c3f3d64c58	Steve Plimpton	use CHARMM energy conversion factor with new CHARMM pair styles	Jun 22 2017
7a4a56985986	sjplimp/GitHub	Merge pull request #540 from lammps/neighrespa	Jun 22 2017
4fc3f4f7e563	sjplimp/GitHub	Merge pull request #538 from akohlmey/collected-small-changes	Jun 22 2017
b0ddabbcde94	Axel Kohlmeyer	update examples for fix filter/corotate to comply with new CHARMM restrictions	Jun 22 2017
de3157f720b3	Axel Kohlmeyer	document new restrictions to CHARMM compatible dihedral styles	Jun 22 2017
0c6a7517511b	Axel Kohlmeyer	may check for 1-4 scaling factors in CHARMM dihedral styles only when…	Jun 22 2017
612b44a8951e	Axel Kohlmeyer	enforce using 'special_bonds charmm' for dihedral styles charmm and charmmfsw	Jun 22 2017
684b7334a56c	Axel Kohlmeyer	enforce that CHARMM dihedral styles are run at the same r-RESPA level as pair	Jun 22 2017
1fc2eb1e3e4b	Steve Plimpton	fix issue with rRESPA inner/middle neighbor lists	Jun 21 2017
e69ef56f108e	sjplimp/GitHub	Merge pull request #539 from lammps/neighsize	Jun 21 2017
7dc380b113d8	Steve Plimpton	insure compute pair/property local will use a copy of granular neigh list	Jun 21 2017
1a77135ed65b	Axel Kohlmeyer	whitespace cleanup in docs	Jun 21 2017
f45c7e1fb023	Axel Kohlmeyer	update fix ti/spring docs to reflect it is part of USER-MISC	Jun 21 2017
0cfe8980d4ca	Axel Kohlmeyer	dead code removal	Jun 21 2017
2988508cee98	Axel Kohlmeyer	correct indexing bug in pair style lj/long/tip4p/long	Jun 20 2017
15c596153aaa	Axel Kohlmeyer	remove dead code	Jun 20 2017
e13c94ed4f26	Axel Kohlmeyer	fix uninitialized variable bug spotted by coverity scan	Jun 20 2017
812f1a8fabd7	Axel Kohlmeyer	remove local variables shadowing global ones in BondsOMP()	Jun 20 2017
218bc92c82d5	Axel Kohlmeyer	make pre-processor defines for using libc's qsort() consistent	Jun 20 2017
ffa906de6ff6	Axel Kohlmeyer	add C++ format identifiers to .h files	Jun 20 2017
cccf72a21d6a	Axel Kohlmeyer	make certain class member list is initialized to NULL before assigned to a…	Jun 20 2017
87c028ed0237	Steve Plimpton	patch 20Jun17	Jun 20 2017
84b530cca189	sjplimp/GitHub	Merge pull request #537 from lammps/neb	Jun 20 2017
50c9167913d6	Axel Kohlmeyer	small formatting correction in fix neb docs	Jun 20 2017
d2610d9e7c0d	Steve Plimpton	minor changes to NEB doc pages and examples	Jun 20 2017
326a8a1289ef	sjplimp/GitHub	Merge pull request #536 from akohlmey/fix-nvcc-openmp-conflicts	Jun 20 2017
b5300724bb8b	sjplimp/GitHub	Merge pull request #533 from lammps/user-intel	Jun 20 2017
e129f18e6f19	sjplimp/GitHub	Merge pull request #530 from akohlmey/no_static_sort_in_dump	Jun 20 2017
8c54fcd1b6c9	Axel Kohlmeyer	cleanup from aidan for fix reax/c/species and its KOKKOS version	Jun 19 2017
f5047ac3c7f9	Axel Kohlmeyer	augment fix shardlow check for ordering fixes to be KOKKOS compatible	Jun 19 2017
164cedf3539c	Axel Kohlmeyer	protect all OpenMP pragmas with ifdefs and add special conditions for nvcc to…	Jun 19 2017
3c329d170791	Axel Kohlmeyer	massive whitespace cleanup in USER-INTEL	Jun 19 2017
b687d16177fe	Axel Kohlmeyer	insert C++ file format indicator comments	Jun 19 2017
9d3e34e4922c	Axel Kohlmeyer	add missing reference for lj/smooth/linear	Jun 19 2017
8988b692a392	Emile Maras	modified the documentation, first and last freeend can have different spring…	Jun 19 2017
c97415aefab7	Emile Maras	corrected the initial free end	Jun 19 2017
9b8de3ba2960	Axel Kohlmeyer	remove ifdefs for selecting between plain and hybrid merge sort. use hybrid…	Jun 17 2017
cd88b31450c3	Steve Plimpton	same PR, also has cosmetic changes to new fix neb options	Jun 17 2017
9b9f6d6fe2f4	Steve Plimpton	USER-INTEL upgrade from M Brown	Jun 17 2017
c1b0b1b3f9d7	Axel Kohlmeyer	restore old qsort() based code and add preprocessor directives to switch	Jun 17 2017
2a6f026853e6	Axel Kohlmeyer	mergesort performance improvements	Jun 16 2017
06fe703eedcb	Axel Kohlmeyer	add missing mergesort header	Jun 15 2017
8500a197ae13	Axel Kohlmeyer	whitespace cleanup	Jun 15 2017

Changes (298)

				Path
	M			doc/src/JPG/user_intel.png
	M			doc/src/Manual.txt
	M			doc/src/Section_commands.txt
	M			doc/src/Section_howto.txt
	M			doc/src/Section_packages.txt
	M			doc/src/Section_python.txt
	M			doc/src/accelerate_intel.txt
	M			doc/src/bond_oxdna.txt
	M			doc/src/compute_cnp_atom.txt
	M			doc/src/compute_pair_local.txt
	M			doc/src/compute_property_local.txt
	M			doc/src/dihedral_charmm.txt
	M			doc/src/dump_vtk.txt
	M			doc/src/fix_box_relax.txt
	M			doc/src/fix_eos_table_rx.txt
	M			doc/src/fix_filter_corotate.txt
	M			doc/src/fix_gcmc.txt
	M			doc/src/fix_grem.txt
	M			doc/src/fix_ipi.txt
	M			doc/src/fix_mscg.txt
	M			doc/src/fix_neb.txt
	M			doc/src/fix_nve_dot.txt
	M			doc/src/fix_nve_dotc_langevin.txt
	M			doc/src/fix_nvk.txt
	M			doc/src/fix_spring.txt
	M			doc/src/fix_ti_spring.txt
	M			doc/src/kspace_modify.txt
	M			doc/src/kspace_style.txt
	M			doc/src/neb.txt
	M			doc/src/pair_agni.txt
	M			doc/src/pair_buck.txt
	M			doc/src/pair_charmm.txt
	M			doc/src/pair_dipole.txt
	M			doc/src/pair_exp6_rx.txt
	M			doc/src/pair_kolmogorov_crespi_z.txt
	M			doc/src/pair_lj_long.txt
	M			doc/src/pair_lj_smooth_linear.txt
	M			doc/src/pair_multi_lucy_rx.txt
	M			doc/src/pair_oxdna.txt
	M			doc/src/pair_oxdna2.txt
	M			doc/src/pair_table_rx.txt
	M			doc/src/python.txt
	M			doc/src/run_style.txt
	M			doc/src/tutorial_github.txt
	M			doc/src/tutorial_pylammps.txt
	M			examples/USER/misc/filter_corotate/in.bpti
	M			examples/USER/misc/filter_corotate/in.peptide
	D			examples/USER/misc/filter_corotate/log.10Mar2017.bpti.g++.1
	D			examples/USER/misc/filter_corotate/log.10Mar2017.bpti.g++.4
	D			examples/USER/misc/filter_corotate/log.10Mar2017.peptide.g++.1
	D			examples/USER/misc/filter_corotate/log.10Mar2017.peptide.g++.4
	A			examples/USER/misc/filter_corotate/log.22Jun2017.bpti.g++.1
	A			examples/USER/misc/filter_corotate/log.22Jun2017.bpti.g++.4
	A			examples/USER/misc/filter_corotate/log.22Jun2017.peptide.g++.1
	A			examples/USER/misc/filter_corotate/log.22Jun2017.peptide.g++.4
	M			examples/neb/README
	M			examples/neb/in.neb.hop1
	V			examples/neb/{in.neb.hop1.end ← in.neb.hop1freeend}
	V			examples/neb/{in.neb.hop1freeend → in.neb.hop1.end}
	M			examples/neb/in.neb.hop2
	V			examples/neb/{initial.hop1.end ← initial.hop1freeend}
	V			examples/neb/{initial.hop1freeend → initial.hop1.end}
	A			examples/neb/log.19Jun17.neb.hop1.end.g++.4
	A			examples/neb/log.19Jun17.neb.hop1.end.g++.8
	A			examples/neb/log.19Jun17.neb.hop1.g++.4
	A			examples/neb/log.19Jun17.neb.hop1.g++.8
	A			examples/neb/log.19Jun17.neb.hop2.g++.4
	A			examples/neb/log.19Jun17.neb.hop2.g++.8
	A			examples/neb/log.19Jun17.neb.sivac.g++.4
	A			examples/neb/log.19Jun17.neb.sivac.g++.8
	D			examples/neb/log.5Oct16.neb.hop1.g++.4
	D			examples/neb/log.5Oct16.neb.hop1.g++.8
	D			examples/neb/log.5Oct16.neb.hop2.g++.4
	D			examples/neb/log.5Oct16.neb.hop2.g++.8
	D			examples/neb/log.5Oct16.neb.sivac.g++.3
	D			examples/neb/log.5Oct16.neb.sivac.g++.6
	D			examples/neb/log.5Oct16.neb.sivac.g++.9
	M			src/CORESHELL/compute_temp_cs.h
	M			src/CORESHELL/pair_born_coul_long_cs.h
	M			src/CORESHELL/pair_buck_coul_long_cs.h
	M			src/GPU/pair_lj_cubic_gpu.h
	M			src/GPU/pair_tersoff_gpu.h
	M			src/GPU/pair_tersoff_mod_gpu.h
	M			src/GPU/pair_tersoff_zbl_gpu.h
	M			src/GPU/pair_zbl_gpu.h
	M			src/KOKKOS/fix_reaxc_species_kokkos.cpp
	M			src/KOKKOS/pair_buck_kokkos.h
	M			src/KOKKOS/pair_sw_kokkos.h
	M			src/KOKKOS/pair_vashishta_kokkos.h
	M			src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
	M			src/KSPACE/pair_lj_long_tip4p_long.cpp
	M			src/MAKE/OPTIONS/Makefile.intel_cpu_intelmpi
	M			src/MAKE/OPTIONS/Makefile.intel_knl_coprocessor
	M			src/MAKE/OPTIONS/Makefile.knl
	M			src/MANYBODY/pair_airebo.cpp
	M			src/MANYBODY/pair_bop.h
	M			src/MANYBODY/pair_polymorphic.h
	M			src/MANYBODY/pair_vashishta_table.h
	M			src/MC/fix_atom_swap.h
	M			src/MC/fix_gcmc.h
	M			src/MC/fix_tfmc.h
	M			src/MOLECULE/dihedral_charmm.cpp
	M			src/MOLECULE/dihedral_charmmfsw.cpp
	M			src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp
	M			src/REPLICA/fix_neb.cpp
	M			src/REPLICA/fix_neb.h
	M			src/RIGID/fix_ehex.h
	M			src/USER-CGDNA/mf_oxdna.h
	M			src/USER-CGDNA/pair_oxdna2_coaxstk.h
	M			src/USER-CGDNA/pair_oxdna2_dh.h
	M			src/USER-CGDNA/pair_oxdna2_excv.h
	M			src/USER-CGDNA/pair_oxdna2_stk.h
	M			src/USER-CGDNA/pair_oxdna_coaxstk.h
	M			src/USER-CGDNA/pair_oxdna_excv.h
	M			src/USER-CGDNA/pair_oxdna_hbond.h
	M			src/USER-CGDNA/pair_oxdna_stk.h
	M			src/USER-CGDNA/pair_oxdna_xstk.h
	M			src/USER-DIFFRACTION/compute_saed.h
	M			src/USER-DIFFRACTION/compute_saed_consts.h
	M			src/USER-DIFFRACTION/compute_xrd.h
	M			src/USER-DIFFRACTION/compute_xrd_consts.h
	M			src/USER-DIFFRACTION/fix_saed_vtk.h
	M			src/USER-DPD/fix_dpd_energy.h
	M			src/USER-DPD/fix_rx.h
	M			src/USER-DPD/pair_exp6_rx.h
	M			src/USER-DPD/pair_multi_lucy_rx.h
	M			src/USER-INTEL/README
	M			src/USER-INTEL/TEST/README
	M			src/USER-INTEL/TEST/in.intel.eam
	M			src/USER-INTEL/TEST/in.intel.lc
	M			src/USER-INTEL/TEST/in.intel.lj
	M			src/USER-INTEL/TEST/in.intel.rhodo
	M			src/USER-INTEL/TEST/in.intel.sw
	M			src/USER-INTEL/TEST/in.intel.tersoff
	M			src/USER-INTEL/TEST/in.intel.water
	M			src/USER-INTEL/TEST/in.lc_generate_restart
	A			src/USER-INTEL/TEST/run_benchmarks.sh
	M			src/USER-INTEL/angle_charmm_intel.cpp
	M			src/USER-INTEL/angle_charmm_intel.h
	M			src/USER-INTEL/angle_harmonic_intel.cpp
	M			src/USER-INTEL/angle_harmonic_intel.h
	M			src/USER-INTEL/bond_fene_intel.cpp
	M			src/USER-INTEL/bond_fene_intel.h
	M			src/USER-INTEL/bond_harmonic_intel.cpp
	M			src/USER-INTEL/bond_harmonic_intel.h
	M			src/USER-INTEL/dihedral_charmm_intel.cpp
	M			src/USER-INTEL/dihedral_charmm_intel.h
	M			src/USER-INTEL/dihedral_harmonic_intel.cpp
	M			src/USER-INTEL/dihedral_harmonic_intel.h
	M			src/USER-INTEL/dihedral_opls_intel.cpp
	M			src/USER-INTEL/dihedral_opls_intel.h
	M			src/USER-INTEL/fix_intel.cpp
	M			src/USER-INTEL/fix_intel.h
	M			src/USER-INTEL/fix_nh_intel.cpp
	M			src/USER-INTEL/fix_nh_intel.h
	M			src/USER-INTEL/fix_nve_asphere_intel.cpp
	M			src/USER-INTEL/fix_nve_intel.cpp
	M			src/USER-INTEL/improper_cvff_intel.cpp
	M			src/USER-INTEL/improper_cvff_intel.h
	M			src/USER-INTEL/improper_harmonic_intel.cpp
	M			src/USER-INTEL/improper_harmonic_intel.h
	M			src/USER-INTEL/intel_buffers.cpp
	M			src/USER-INTEL/intel_buffers.h
	M			src/USER-INTEL/intel_intrinsics.h
	M			src/USER-INTEL/intel_preprocess.h
	M			src/USER-INTEL/intel_simd.h
	M			src/USER-INTEL/math_extra_intel.h
	M			src/USER-INTEL/nbin_intel.cpp
	M			src/USER-INTEL/npair_full_bin_intel.cpp
	M			src/USER-INTEL/npair_full_bin_intel.h
	D			src/USER-INTEL/npair_half_bin_newtoff_intel.cpp
	D			src/USER-INTEL/npair_half_bin_newtoff_intel.h
	M			src/USER-INTEL/npair_half_bin_newton_intel.cpp
	M			src/USER-INTEL/npair_half_bin_newton_intel.h
	M			src/USER-INTEL/npair_half_bin_newton_tri_intel.cpp
	M			src/USER-INTEL/npair_half_bin_newton_tri_intel.h
	M			src/USER-INTEL/npair_intel.cpp
	M			src/USER-INTEL/npair_intel.h
	M			src/USER-INTEL/pair_buck_coul_cut_intel.cpp
	M			src/USER-INTEL/pair_buck_coul_cut_intel.h
	M			src/USER-INTEL/pair_buck_coul_long_intel.cpp
	M			src/USER-INTEL/pair_buck_coul_long_intel.h
	M			src/USER-INTEL/pair_buck_intel.cpp
	M			src/USER-INTEL/pair_buck_intel.h
	M			src/USER-INTEL/pair_eam_intel.cpp
	M			src/USER-INTEL/pair_eam_intel.h
	M			src/USER-INTEL/pair_gayberne_intel.cpp
	M			src/USER-INTEL/pair_gayberne_intel.h
	M			src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp
	M			src/USER-INTEL/pair_lj_charmm_coul_long_intel.h
	M			src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp
	M			src/USER-INTEL/pair_lj_cut_coul_long_intel.h
	M			src/USER-INTEL/pair_lj_cut_intel.cpp
	M			src/USER-INTEL/pair_lj_cut_intel.h
	A			src/USER-INTEL/pair_lj_long_coul_long_intel.cpp
	P			src/USER-INTEL/pair_lj_long_coul_long_intel.h Copied from src/USER-MISC/improper_distance.h
	M			src/USER-INTEL/pair_sw_intel.cpp
	M			src/USER-INTEL/pair_sw_intel.h
	M			src/USER-INTEL/pair_tersoff_intel.cpp
	M			src/USER-INTEL/pair_tersoff_intel.h
	A			src/USER-INTEL/pppm_disp_intel.cpp
	A			src/USER-INTEL/pppm_disp_intel.h
	M			src/USER-INTEL/pppm_intel.cpp
	M			src/USER-INTEL/pppm_intel.h
	M			src/USER-INTEL/verlet_lrt_intel.cpp
	M			src/USER-INTEL/verlet_lrt_intel.h
	M			src/USER-MANIFOLD/fix_nve_manifold_rattle.h
	M			src/USER-MANIFOLD/fix_nvt_manifold_rattle.h
	M			src/USER-MANIFOLD/manifold.h
	M			src/USER-MANIFOLD/manifold_factory.h
	M			src/USER-MANIFOLD/manifold_gaussian_bump.h
	M			src/USER-MISC/compute_cnp_atom.cpp
	M			src/USER-MISC/fix_filter_corotate.h
	M			src/USER-MISC/fix_ti_spring.h
	M			src/USER-MISC/fix_ttm_mod.h
	P			src/USER-MISC/improper_distance.h Copied to src/USER-INTEL/pair_lj_long_coul_long_intel.h
	M			src/USER-MISC/pair_buck_mdf.h
	M			src/USER-MISC/pair_edip_multi.h
	M			src/USER-MISC/pair_kolmogorov_crespi_z.h
	M			src/USER-MISC/pair_lennard_mdf.h
	M			src/USER-MISC/pair_lj_mdf.h
	M			src/USER-MISC/pair_meam_spline.h
	M			src/USER-MISC/pair_momb.h
	M			src/USER-NETCDF/dump_netcdf.h
	M			src/USER-NETCDF/dump_netcdf_mpiio.h
	M			src/USER-OMP/fix_qeq_reax_omp.h
	M			src/USER-OMP/pair_airebo_omp.cpp
	M			src/USER-OMP/pair_comb_omp.cpp
	M			src/USER-OMP/pair_reaxc_omp.cpp
	M			src/USER-OMP/pair_reaxc_omp.h
	M			src/USER-OMP/reaxc_bond_orders_omp.cpp
	M			src/USER-OMP/reaxc_bonds_omp.cpp
	M			src/USER-OMP/reaxc_forces_omp.cpp
	M			src/USER-OMP/reaxc_multi_body_omp.cpp
	M			src/USER-OMP/reaxc_nonbonded_omp.cpp
	M			src/USER-OMP/reaxc_torsion_angles_omp.cpp
	M			src/USER-OMP/reaxc_valence_angles_omp.cpp
	M			src/USER-QTB/fix_qbmsst.h
	M			src/USER-QTB/fix_qtb.h
	M			src/USER-QUIP/pair_quip.h
	M			src/USER-REAXC/fix_reaxc_species.cpp
	M			src/USER-REAXC/fix_reaxc_species.h
	M			src/USER-SMD/atom_vec_smd.h
	M			src/USER-SMD/compute_smd_contact_radius.h
	M			src/USER-SMD/compute_smd_damage.h
	M			src/USER-SMD/compute_smd_hourglass_error.h
	M			src/USER-SMD/compute_smd_internal_energy.h
	M			src/USER-SMD/compute_smd_plastic_strain.h
	M			src/USER-SMD/compute_smd_plastic_strain_rate.h
	M			src/USER-SMD/compute_smd_rho.h
	M			src/USER-SMD/compute_smd_tlsph_defgrad.h
	M			src/USER-SMD/compute_smd_tlsph_dt.h
	M			src/USER-SMD/compute_smd_tlsph_num_neighs.h
	M			src/USER-SMD/compute_smd_tlsph_shape.h
	M			src/USER-SMD/compute_smd_tlsph_strain.h
	M			src/USER-SMD/compute_smd_tlsph_strain_rate.h
	M			src/USER-SMD/compute_smd_tlsph_stress.h
	M			src/USER-SMD/compute_smd_triangle_mesh_vertices.h
	M			src/USER-SMD/compute_smd_ulsph_effm.h
	M			src/USER-SMD/compute_smd_ulsph_num_neighs.h
	M			src/USER-SMD/compute_smd_ulsph_strain.h
	M			src/USER-SMD/compute_smd_ulsph_strain_rate.h
	M			src/USER-SMD/compute_smd_ulsph_stress.h
	M			src/USER-SMD/compute_smd_vol.h
	M			src/USER-SMD/fix_smd_adjust_dt.h
	M			src/USER-SMD/fix_smd_integrate_tlsph.h
	M			src/USER-SMD/fix_smd_integrate_ulsph.h
	M			src/USER-SMD/fix_smd_move_triangulated_surface.h
	M			src/USER-SMD/fix_smd_setvel.h
	M			src/USER-SMD/fix_smd_tlsph_reference_configuration.h
	M			src/USER-SMD/fix_smd_wall_surface.h
	M			src/USER-SMD/pair_smd_hertz.h
	M			src/USER-SMD/pair_smd_tlsph.h
	M			src/USER-SMD/pair_smd_triangulated_surface.h
	M			src/USER-SMD/pair_smd_ulsph.h
	M			src/USER-SMD/smd_kernels.h
	M			src/USER-SMD/smd_material_models.h
	M			src/USER-SMD/smd_math.h
	M			src/USER-SMTBQ/pair_smtbq.h
	M			src/USER-TALLY/compute_heat_flux_tally.cpp
	M			src/USER-VTK/dump_vtk.h
	M			src/atom.cpp
	M			src/compute_cna_atom.cpp
	M			src/compute_pair_local.cpp
	M			src/compute_property_local.cpp
	M			src/dump.cpp
	M			src/dump.h
	M			src/force.cpp
	M			src/force.h
	M			src/irregular.cpp
	M			src/irregular.h
	A			src/mergesort.h
	M			src/min.cpp
	M			src/neighbor.cpp
	M			src/neighbor.h
	M			src/pair_coul_streitz.h
	M			src/update.cpp
	M			src/version.h