Diffusion lammps af8972a1864e

Merge branch 'openmp-master' into neighbor-omp
af8972a1864e
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 25 2011, 19:54.

Description

Merge branch 'openmp-master' into neighbor-omp

Resolved Conflicts:
src/neigh_full.cpp
src/neigh_gran_omp.cpp
src/neigh_list.cpp
src/neigh_request.cpp
src/neighbor.cpp

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 25 2011, 19:54

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS95725754c904: expand the check for the "last omp style" to cover hybrid styles
rLAMMPS05c86f38fa71: Merge branch 'master' into neighbor-omp

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Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSaf8972a1864e: Merge branch 'openmp-master' into neighbor-omp (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 25 2011, 19:54

Merged Changes

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

Commit	Author	Details	Committed
95725754c904	Axel Kohlmeyer	expand the check for the "last omp style" to cover hybrid styles	Oct 25 2011
8427e1ce0fad	Axel Kohlmeyer	change add_pages() to include PGDELTA according to steve's wishes	Oct 25 2011
5a3a2985a556	Axel Kohlmeyer	improve detection of style which needs to do force reduction	Oct 25 2011
2318a7e791bd	Axel Kohlmeyer	fix dual definition resulting from merge	Oct 25 2011
770a97aaac4c	Axel Kohlmeyer	remove lubricate/omp class since lubricate is gone, too	Oct 25 2011
3295bdbec039	Axel Kohlmeyer	Merge branch 'openmp-next-merge' into openmp-master	Oct 25 2011
9c5ad7cf3355	Axel Kohlmeyer	Merge branch 'master' into openmp-next-merge	Oct 25 2011
d3727b581bfb	Axel Kohlmeyer	remove unused variable	Oct 25 2011
3e478bc98048	Axel Kohlmeyer	more files to ignore	Oct 25 2011
15b662013395	Axel Kohlmeyer	rename ThrData::init_clear() to ThrData::init_force() add reduction of per atom…	Oct 25 2011
49b687bafe63	Axel Kohlmeyer	support reduction of per atom energy and stress	Oct 25 2011
392868437e15	Axel Kohlmeyer	add documentation for compilation with posix_memalign()	Oct 25 2011
d09892f63288	Axel Kohlmeyer	add .gitignore files to distribution	Oct 25 2011
a7206ee37a0b	Axel Kohlmeyer	support memalign in make files	Oct 25 2011
d03211a9fa45	Axel Kohlmeyer	integrate posix_memalign() support.	Oct 25 2011
852657f2841f	Axel Kohlmeyer	correct install/update scripts for USER-OMP	Oct 24 2011
c6bbdcfbf2af	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7…	Oct 24 2011
56c38528ed63	Axel Kohlmeyer	Merge branch 'airebo-fixup' into openmp-step7	Oct 24 2011
99f3957cf202	Axel Kohlmeyer	updated and optimized version of airebo potentials	Oct 24 2011
11806a92a1df	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7182 f3b2605a-c512-4ea7…	Oct 24 2011
860bca7d5e5d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7181 f3b2605a-c512-4ea7…	Oct 24 2011
f3018d53bb32	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7180 f3b2605a-c512-4ea7…	Oct 24 2011
5a03365db1f1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7179 f3b2605a-c512-4ea7…	Oct 24 2011
326c40feaa41	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7178 f3b2605a-c512-4ea7…	Oct 24 2011
cb5b707c7408	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7177 f3b2605a-c512-4ea7…	Oct 24 2011
b0639081bafc	Axel Kohlmeyer	Merge branch 'load-balance' into openmp-step7	Oct 24 2011
245d6ac30c61	Axel Kohlmeyer	support dimensions with just one processor remove useless arguments from class…	Oct 23 2011
f55d42f2a17c	Axel Kohlmeyer	Merge branch 'load-balance' into openmp-step7	Oct 23 2011
101e045b1515	Axel Kohlmeyer	update load balancing code to new error handling API	Oct 23 2011
914f1873cdd6	Axel Kohlmeyer	merge in loadbalancing code from christoph kloss	Oct 23 2011
aa5daaff3501	Axel Kohlmeyer	single out assorted bugfixes and changes that should be sent to steve before…	Oct 22 2011
dd191f4e5cbd	Axel Kohlmeyer	fix a couple more bugs	Oct 22 2011
4652fcf279b9	Axel Kohlmeyer	added better checks for compatible pair and kspace styles	Oct 22 2011
54df86aa9f34	Axel Kohlmeyer	added pppm/tip4p/proxy class	Oct 22 2011
cee7f4acafdb	Axel Kohlmeyer	add docs for additional pppm/proxy compatible pair styles	Oct 22 2011
033d43c1ed72	Axel Kohlmeyer	docs for OpenMP versions of line/lj and tri/lj	Oct 22 2011
6e981d13fe6a	Axel Kohlmeyer	more pppm/proxy compatible long range coulomb classes	Oct 22 2011
1a5e3a8160dc	Axel Kohlmeyer	added docs for multi-threaded kspace and pppm/proxy styles	Oct 22 2011
8b175d0a61b1	Axel Kohlmeyer	add multi-threaded versions of tri/line pair styles	Oct 22 2011
fb79b748d74a	Axel Kohlmeyer	bugfix to avoid reallocating local list in every step	Oct 22 2011
8292a82ce85c	Axel Kohlmeyer	extend support for math constants using PI	Oct 21 2011
31dc359e82f6	Axel Kohlmeyer	Merge branch 'master' into openmp-step6	Oct 21 2011
b1492a195bb8	Axel Kohlmeyer	fix race conditions and omissions in ewald/omp	Oct 21 2011
b930d3759aeb	Axel Kohlmeyer	first stab as multi-threading ewald sum. still some races left.	Oct 21 2011
dbb0eae861ae	Axel Kohlmeyer	fix wall/* bugfix for applying unit lattice scaling	Oct 20 2011
27173bf04225	Axel Kohlmeyer	fix wall documentation bugfix	Oct 20 2011
0da20cfa01d3	Axel Kohlmeyer	avoid the default(shared) clause and make stuff const	Oct 19 2011
6f19c5d4580a	Axel Kohlmeyer	small optimization	Oct 19 2011
630de286b99b	Axel Kohlmeyer	implement fix wall/gran/omp	Oct 19 2011
7d5c1e9bec87	Axel Kohlmeyer	don't require fix gpu to be the first fix anymore. the package command will…	Oct 19 2011

Changes (440)
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This commit is very large. Load each file individually.

				Path
	A			.gitignore
	M			doc/Section_accelerate.txt
	M			doc/Section_commands.html
	M			doc/Section_commands.txt
	M			doc/Section_start.txt
	M			doc/angle_charmm.txt
	M			doc/angle_class2.txt
	M			doc/angle_cosine.txt
	M			doc/angle_cosine_delta.txt
	M			doc/angle_cosine_periodic.txt
	M			doc/angle_cosine_shift.txt
	M			doc/angle_cosine_shift_exp.txt
	M			doc/angle_cosine_squared.txt
	M			doc/angle_harmonic.txt
	M			doc/angle_table.txt
	M			doc/bond_class2.txt
	M			doc/bond_fene.txt
	M			doc/bond_fene_expand.txt
	M			doc/bond_harmonic.txt
	M			doc/bond_harmonic_shift.txt
	M			doc/bond_harmonic_shift_cut.txt
	M			doc/bond_morse.txt
	M			doc/bond_nonlinear.txt
	M			doc/bond_quartic.txt
	M			doc/bond_table.txt
	M			doc/compute_temp_asphere.txt
	M			doc/compute_temp_sphere.txt
	M			doc/fix.html
	M			doc/fix.txt
	M			doc/fix_bond_break.txt
	M			doc/fix_bond_create.txt
	M			doc/fix_bond_swap.txt
	M			doc/fix_nph_asphere.txt
	M			doc/fix_nph_sphere.txt
	M			doc/fix_npt_asphere.txt
	M			doc/fix_npt_sphere.txt
	P			doc/fix_nve_asphere.txt Copied to doc/fix_nve_asphere_noforce.txt
	A			doc/fix_nve_asphere_noforce.html
	P			doc/fix_nve_asphere_noforce.txt Copied from doc/fix_nve_asphere.txt
	M			doc/fix_nve_sphere.txt
	M			doc/fix_nvt_asphere.txt
	M			doc/fix_nvt_sphere.txt
	M			doc/fix_wall.html
	M			doc/fix_wall.txt
	M			doc/fix_wall_reflect.txt
	M			doc/fix_wall_srd.txt
	M			doc/improper_class2.txt
	M			doc/improper_cvff.txt
	M			doc/improper_harmonic.txt
	M			doc/improper_umbrella.txt
	M			doc/kspace_style.txt
	M			doc/min_style.txt
	M			doc/package.txt
	M			doc/pair_charmm.txt
	M			doc/pair_coeff.html
	M			doc/pair_coeff.txt
	M			doc/pair_dipole.txt
	M			doc/pair_gayberne.txt
	M			doc/pair_line_lj.txt
	M			doc/pair_lj.txt
	D			doc/pair_lubricate.html
	D			doc/pair_lubricate.txt
	M			doc/pair_resquared.txt
	M			doc/pair_style.html
	M			doc/pair_style.txt
	M			doc/pair_tri_lj.txt
	M			lib/cuda/atom_vec_cuda.cu
	M			lib/cuda/comm_cuda.cu
	M			lib/cuda/compute_temp_cuda.cu
	M			lib/cuda/compute_temp_cuda_kernel.cu
	M			lib/cuda/compute_temp_partial_cuda.cu
	M			lib/cuda/compute_temp_partial_cuda_kernel.cu
	M			lib/cuda/cuda_pair.cu
	M			lib/cuda/domain_kernel.cu
	M			lib/cuda/pair_eam_cuda.cu
	M			lib/gpu/Makefile.lammps
	M			lib/meam/Makefile.lammps
	M			potentials/CH.airebo
	A			src/.gitignore
	M			src/ASPHERE/Install.sh
	P			src/ASPHERE/fix_nve_asphere.cpp Copied to src/ASPHERE/fix_nve_asphere_noforce.cpp
	P			src/ASPHERE/fix_nve_asphere_noforce.cpp Copied from src/ASPHERE/fix_nve_asphere.cpp
	P			src/ASPHERE/fix_nve_asphere_noforce.h Copied from src/fix_nve_noforce.h
	M			src/ASPHERE/pair_line_lj.cpp
	M			src/ASPHERE/pair_line_lj.h
	M			src/ASPHERE/pair_resquared.cpp
	M			src/ASPHERE/pair_tri_lj.cpp
	M			src/ASPHERE/pair_tri_lj.h
	M			src/CLASS2/angle_class2.cpp
	M			src/CLASS2/angle_class2.h
	M			src/CLASS2/bond_class2.h
	M			src/CLASS2/improper_class2.h
	M			src/COLLOID/Install.sh
	D			src/COLLOID/pair_lubricate.cpp
	D			src/COLLOID/pair_lubricate.h
	M			src/GPU/fix_gpu.cpp
	M			src/GRANULAR/fix_pour.cpp
	M			src/GRANULAR/fix_wall_gran.h
	M			src/KSPACE/ewald.cpp
	M			src/KSPACE/ewald.h
	M			src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp
	M			src/KSPACE/pppm.cpp
	M			src/KSPACE/pppm_cg.cpp
	P			src/MAKE/Makefile.openmpi Copied to src/MAKE/Makefile.openmpi-omp
	P			src/MAKE/Makefile.openmpi-omp Copied from src/MAKE/Makefile.openmpi
	M			src/MANYBODY/pair_adp.cpp
	P			src/MANYBODY/pair_airebo.cpp Copied to src/USER-OMP/pair_airebo_omp.cpp
	M			src/MANYBODY/pair_airebo.h
	M			src/MANYBODY/pair_comb.cpp
	M			src/MANYBODY/pair_comb.h
	M			src/MANYBODY/pair_sw.cpp
	M			src/MANYBODY/pair_sw.h
	M			src/MANYBODY/pair_tersoff.cpp
	M			src/MANYBODY/pair_tersoff.h
	M			src/MANYBODY/pair_tersoff_zbl.h
	M			src/MOLECULE/angle_charmm.h
	M			src/MOLECULE/angle_cosine.cpp
	P			src/MOLECULE/angle_cosine.h Copied to src/USER-OMP/pppm_tip4p_proxy.h
	P			src/MOLECULE/angle_cosine_delta.h Copied to multiple locations: src/USER-OMP/fix_peri_neigh_omp.h src/USER-OMP/fix_wall_gran_omp.h src/USER-OMP/pair_rebo_omp.h
	M			src/MOLECULE/angle_cosine_periodic.h
	P			src/MOLECULE/angle_harmonic.h Copied to src/USER-MISC/pair_lj_sdk.h
	M			src/MOLECULE/angle_hybrid.h
	M			src/MOLECULE/angle_table.h
	M			src/MOLECULE/bond_fene.h
	M			src/MOLECULE/bond_fene_expand.h
	M			src/MOLECULE/bond_harmonic.h
	M			src/MOLECULE/bond_morse.h
	M			src/MOLECULE/bond_nonlinear.h
	M			src/MOLECULE/bond_quartic.h
	M			src/MOLECULE/bond_table.h
	M			src/MOLECULE/dihedral_hybrid.h
	M			src/MOLECULE/improper_cvff.h
	P			src/MOLECULE/improper_harmonic.h Copied to src/USER-OMP/pppm_proxy.h
	M			src/MOLECULE/improper_hybrid.h
	M			src/MOLECULE/improper_umbrella.h
	M			src/Make.sh
	M			src/OPT/pair_lj_cut_coul_long_tip4p_opt.cpp
	M			src/PERI/compute_damage_atom.cpp
	M			src/PERI/fix_peri_neigh.h
	M			src/PERI/pair_peri_lps.cpp
	M			src/PERI/pair_peri_lps.h
	M			src/PERI/pair_peri_pmb.cpp
	M			src/PERI/pair_peri_pmb.h
	M			src/REPLICA/neb.cpp
	M			src/REPLICA/prd.cpp
	M			src/REPLICA/tad.cpp
	M			src/REPLICA/temper.cpp
	M			src/SHOCK/fix_wall_piston.cpp
	M			src/USER-CUDA/atom_vec_atomic_cuda.cpp
	M			src/USER-CUDA/cuda.cpp
	M			src/USER-CUDA/cuda_neigh_list.cpp
	M			src/USER-CUDA/neigh_full_cuda.cpp
	M			src/USER-CUDA/verlet_cuda.cpp
	M			src/USER-MISC/angle_cosine_shift.h
	M			src/USER-MISC/angle_cosine_shift_exp.cpp
	M			src/USER-MISC/angle_cosine_shift_exp.h
	M			src/USER-MISC/bond_harmonic_shift.cpp
	M			src/USER-MISC/bond_harmonic_shift.h
	M			src/USER-MISC/bond_harmonic_shift_cut.h
	A			src/USER-MISC/lj_sdk_common.cpp
	A			src/USER-MISC/lj_sdk_common.h
	M			src/USER-MISC/pair_edip.cpp
	M			src/USER-MISC/pair_edip.h
	A			src/USER-MISC/pair_lj_sdk.cpp
	P			src/USER-MISC/pair_lj_sdk.h Copied from src/MOLECULE/angle_harmonic.h
	M			src/USER-OMP/Install.sh
	M			src/USER-OMP/Package.sh
	A			src/USER-OMP/angle_charmm_omp.cpp
	P			src/USER-OMP/angle_charmm_omp.h Copied from src/USER-OMP/pair_buck_omp.h
	A			src/USER-OMP/angle_class2_omp.cpp
	P			src/USER-OMP/angle_class2_omp.h Copied from src/USER-OMP/pair_buck_omp.h
	A			src/USER-OMP/angle_cosine_delta_omp.cpp
	P			src/USER-OMP/angle_cosine_delta_omp.h Copied from src/USER-OMP/pair_buck_coul_long_omp.h
	A			src/USER-OMP/angle_cosine_omp.cpp
	P			src/USER-OMP/angle_cosine_omp.h Copied from src/USER-OMP/pair_buck_omp.h
	A			src/USER-OMP/angle_cosine_periodic_omp.cpp
	P			src/USER-OMP/angle_cosine_periodic_omp.h Copied from src/USER-OMP/pair_lj_class2_coul_cut_omp.h
	A			src/USER-OMP/angle_cosine_shift_exp_omp.cpp
	P			src/USER-OMP/angle_cosine_shift_exp_omp.h Copied from src/USER-OMP/pair_lj_class2_coul_cut_omp.h
	A			src/USER-OMP/angle_cosine_shift_omp.cpp
	P			src/USER-OMP/angle_cosine_shift_omp.h Copied from src/USER-OMP/pair_buck_coul_long_omp.h
	A			src/USER-OMP/angle_cosine_squared_omp.cpp
	P			src/USER-OMP/angle_cosine_squared_omp.h Copied from src/USER-OMP/pair_lj_cut_coul_debye_omp.h
	A			src/USER-OMP/angle_harmonic_omp.cpp
	P			src/USER-OMP/angle_harmonic_omp.h Copied from src/USER-OMP/pair_buck_coul_cut_omp.h
	A			src/USER-OMP/angle_table_omp.cpp
	P			src/USER-OMP/angle_table_omp.h Copied from src/USER-OMP/pair_buck_omp.h
	A			src/USER-OMP/bond_class2_omp.cpp
	P			src/USER-OMP/bond_class2_omp.h Copied from src/USER-OMP/pair_buck_omp.h
	A			src/USER-OMP/bond_fene_expand_omp.cpp
	P			src/USER-OMP/bond_fene_expand_omp.h Copied from src/USER-OMP/pair_dpd_omp.h
	A			src/USER-OMP/bond_fene_omp.cpp
	P			src/USER-OMP/bond_fene_omp.h Copied from src/USER-OMP/pair_buck_omp.h
	A			src/USER-OMP/bond_harmonic_omp.cpp
	P			src/USER-OMP/bond_harmonic_omp.h Copied from src/USER-OMP/pair_buck_omp.h
	A			src/USER-OMP/bond_harmonic_shift_cut_omp.cpp
	P			src/USER-OMP/bond_harmonic_shift_cut_omp.h Copied from src/USER-OMP/pair_gran_hertz_history_omp.h
	A			src/USER-OMP/bond_harmonic_shift_omp.cpp
	P			src/USER-OMP/bond_harmonic_shift_omp.h Copied from src/USER-OMP/pair_lj_cut_coul_long_omp.h
	A			src/USER-OMP/bond_morse_omp.cpp
	P			src/USER-OMP/bond_morse_omp.h Copied from src/USER-OMP/pair_buck_omp.h
	A			src/USER-OMP/bond_nonlinear_omp.cpp
	P			src/USER-OMP/bond_nonlinear_omp.h Copied from src/USER-OMP/pair_buck_coul_cut_omp.h
	A			src/USER-OMP/bond_quartic_omp.cpp
	P			src/USER-OMP/bond_quartic_omp.h Copied from src/USER-OMP/pair_buck_omp.h
	A			src/USER-OMP/bond_table_omp.cpp
	P			src/USER-OMP/bond_table_omp.h Copied from src/USER-OMP/pair_buck_omp.h
	M			src/USER-OMP/dihedral_charmm_omp.cpp
	M			src/USER-OMP/dihedral_charmm_omp.h
	M			src/USER-OMP/dihedral_class2_omp.cpp
	M			src/USER-OMP/dihedral_class2_omp.h
	M			src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
	M			src/USER-OMP/dihedral_cosine_shift_exp_omp.h
	M			src/USER-OMP/dihedral_harmonic_omp.cpp
	M			src/USER-OMP/dihedral_harmonic_omp.h
	M			src/USER-OMP/dihedral_helix_omp.cpp
	M			src/USER-OMP/dihedral_helix_omp.h
	P			src/USER-OMP/dihedral_multi_harmonic_omp.cpp Copied to src/USER-OMP/improper_cvff_omp.cpp
	M			src/USER-OMP/dihedral_multi_harmonic_omp.h
	M			src/USER-OMP/dihedral_opls_omp.cpp
	M			src/USER-OMP/dihedral_opls_omp.h
	A			src/USER-OMP/ewald_omp.cpp
	P			src/USER-OMP/ewald_omp.h Copied from src/fix_nve_sphere.h
	M			src/USER-OMP/fix_nve_sphere_omp.cpp
	A			src/USER-OMP/fix_omp.cpp
	A			src/USER-OMP/fix_omp.h
	A			src/USER-OMP/fix_peri_neigh_omp.cpp
	P			src/USER-OMP/fix_peri_neigh_omp.h Copied from src/MOLECULE/angle_cosine_delta.h
	A			src/USER-OMP/fix_qeq_comb_omp.cpp
	A			src/USER-OMP/fix_qeq_comb_omp.h
	A			src/USER-OMP/fix_wall_gran_omp.cpp
	P			src/USER-OMP/fix_wall_gran_omp.h Copied from src/MOLECULE/angle_cosine_delta.h
	A			src/USER-OMP/improper_class2_omp.cpp
	V			src/USER-OMP/{improper_class2_omp.h ← pair_lubricate_omp.h}
	P			src/USER-OMP/improper_cvff_omp.cpp Copied from src/USER-OMP/dihedral_multi_harmonic_omp.cpp
	P			src/USER-OMP/improper_cvff_omp.h Copied from src/USER-OMP/pair_morse_omp.h
	A			src/USER-OMP/improper_harmonic_omp.cpp
	P			src/USER-OMP/improper_harmonic_omp.h Copied from src/USER-OMP/pair_buck_coul_long_omp.h
	A			src/USER-OMP/improper_umbrella_omp.cpp
	P			src/USER-OMP/improper_umbrella_omp.h Copied from src/USER-OMP/pair_buck_coul_long_omp.h
	M			src/USER-OMP/pair_adp_omp.cpp
	M			src/USER-OMP/pair_adp_omp.h
	P			src/USER-OMP/pair_airebo_omp.cpp Copied from src/MANYBODY/pair_airebo.cpp
	A			src/USER-OMP/pair_airebo_omp.h
	M			src/USER-OMP/pair_born_coul_long_omp.cpp
	M			src/USER-OMP/pair_born_coul_long_omp.h
	M			src/USER-OMP/pair_born_omp.cpp
	P			src/USER-OMP/pair_born_omp.h Copied to multiple locations: src/USER-OMP/pair_line_lj_omp.h src/USER-OMP/pair_tri_lj_omp.h
	M			src/USER-OMP/pair_buck_coul_cut_omp.cpp
	P			src/USER-OMP/pair_buck_coul_cut_omp.h Copied to multiple locations: src/USER-OMP/angle_harmonic_omp.h src/USER-OMP/bond_nonlinear_omp.h
	M			src/USER-OMP/pair_buck_coul_long_omp.cpp
	P			src/USER-OMP/pair_buck_coul_long_omp.h Copied to multiple locations: src/USER-OMP/angle_cosine_delta_omp.h src/USER-OMP/angle_cosine_shift_omp.h src/USER-OMP/improper_harmonic_omp.h src/USER-OMP/improper_umbrella_omp.h
	M			src/USER-OMP/pair_buck_coul_omp.cpp
	M			src/USER-OMP/pair_buck_coul_omp.h
	M			src/USER-OMP/pair_buck_omp.cpp
	P			src/USER-OMP/pair_buck_omp.h Copied to multiple locations: src/USER-OMP/angle_charmm_omp.h src/USER-OMP/angle_class2_omp.h src/USER-OMP/angle_cosine_omp.h src/USER-OMP/angle_table_omp.h src/USER-OMP/bond_class2_omp.h src/USER-OMP/bond_fene_omp.h src/USER-OMP/bond_harmonic_omp.h src/USER-OMP/bond_morse_omp.h src/USER-OMP/bond_quartic_omp.h src/USER-OMP/bond_table_omp.h
	M			src/USER-OMP/pair_cdeam_omp.cpp
	M			src/USER-OMP/pair_cdeam_omp.h
	M			src/USER-OMP/pair_colloid_omp.cpp
	M			src/USER-OMP/pair_colloid_omp.h
	A			src/USER-OMP/pair_comb_omp.cpp
	P			src/USER-OMP/pair_comb_omp.h Copied from src/USER-OMP/pair_edip_omp.h
	M			src/USER-OMP/pair_coul_cut_omp.cpp
	M			src/USER-OMP/pair_coul_cut_omp.h
	M			src/USER-OMP/pair_coul_debye_omp.cpp
	M			src/USER-OMP/pair_coul_debye_omp.h
	M			src/USER-OMP/pair_coul_long_omp.cpp
	M			src/USER-OMP/pair_coul_long_omp.h
	M			src/USER-OMP/pair_dipole_cut_omp.cpp
	M			src/USER-OMP/pair_dipole_cut_omp.h
	M			src/USER-OMP/pair_dipole_sf_omp.cpp
	M			src/USER-OMP/pair_dipole_sf_omp.h
	M			src/USER-OMP/pair_dpd_omp.cpp
	P			src/USER-OMP/pair_dpd_omp.h Copied to src/USER-OMP/bond_fene_expand_omp.h
	M			src/USER-OMP/pair_dpd_tstat_omp.cpp
	M			src/USER-OMP/pair_dpd_tstat_omp.h
	M			src/USER-OMP/pair_eam_omp.cpp
	M			src/USER-OMP/pair_eam_omp.h
	M			src/USER-OMP/pair_edip_omp.cpp
	P			src/USER-OMP/pair_edip_omp.h Copied to src/USER-OMP/pair_comb_omp.h
	M			src/USER-OMP/pair_eim_omp.cpp
	M			src/USER-OMP/pair_eim_omp.h
	M			src/USER-OMP/pair_gauss_omp.cpp
	M			src/USER-OMP/pair_gauss_omp.h
	M			src/USER-OMP/pair_gayberne_omp.cpp
	M			src/USER-OMP/pair_gayberne_omp.h
	M			src/USER-OMP/pair_gran_hertz_history_omp.cpp
	P			src/USER-OMP/pair_gran_hertz_history_omp.h Copied to src/USER-OMP/bond_harmonic_shift_cut_omp.h
	M			src/USER-OMP/pair_gran_hooke_history_omp.cpp
	M			src/USER-OMP/pair_gran_hooke_history_omp.h
	M			src/USER-OMP/pair_gran_hooke_omp.cpp
	M			src/USER-OMP/pair_gran_hooke_omp.h
	M			src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
	M			src/USER-OMP/pair_hbond_dreiding_lj_omp.h
	M			src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
	M			src/USER-OMP/pair_hbond_dreiding_morse_omp.h
	A			src/USER-OMP/pair_line_lj_omp.cpp
	P			src/USER-OMP/pair_line_lj_omp.h Copied from src/USER-OMP/pair_born_omp.h
	M			src/USER-OMP/pair_lj96_cut_omp.cpp
	M			src/USER-OMP/pair_lj96_cut_omp.h
	M			src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
	M			src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.h
	M			src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
	M			src/USER-OMP/pair_lj_charmm_coul_charmm_omp.h
	P			src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp Copied to src/USER-OMP/pair_lj_charmm_coul_pppm_omp.cpp
	P			src/USER-OMP/pair_lj_charmm_coul_long_omp.h Copied to src/USER-OMP/pair_lj_charmm_coul_pppm_omp.h
	P			src/USER-OMP/pair_lj_charmm_coul_pppm_omp.cpp Copied from src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
	P			src/USER-OMP/pair_lj_charmm_coul_pppm_omp.h Copied from src/USER-OMP/pair_lj_charmm_coul_long_omp.h
	M			src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
	P			src/USER-OMP/pair_lj_class2_coul_cut_omp.h Copied to multiple locations: src/USER-OMP/angle_cosine_periodic_omp.h src/USER-OMP/angle_cosine_shift_exp_omp.h
	M			src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
	M			src/USER-OMP/pair_lj_class2_coul_long_omp.h
	M			src/USER-OMP/pair_lj_class2_omp.cpp
	M			src/USER-OMP/pair_lj_class2_omp.h
	M			src/USER-OMP/pair_lj_coul_omp.cpp
	M			src/USER-OMP/pair_lj_coul_omp.h
	M			src/USER-OMP/pair_lj_cubic_omp.cpp
	M			src/USER-OMP/pair_lj_cubic_omp.h
	M			src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
	M			src/USER-OMP/pair_lj_cut_coul_cut_omp.h
	M			src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
	P			src/USER-OMP/pair_lj_cut_coul_debye_omp.h Copied to src/USER-OMP/angle_cosine_squared_omp.h
	P			src/USER-OMP/pair_lj_cut_coul_long_omp.cpp Copied to src/USER-OMP/pair_lj_cut_coul_pppm_omp.cpp
	P			src/USER-OMP/pair_lj_cut_coul_long_omp.h Copied to multiple locations: src/USER-OMP/bond_harmonic_shift_omp.h src/USER-OMP/pair_lj_cut_coul_pppm_omp.h
	P			src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.cpp Copied to src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.cpp
	P			src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.h Copied to src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.h
	P			src/USER-OMP/pair_lj_cut_coul_pppm_omp.cpp Copied from src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
	P			src/USER-OMP/pair_lj_cut_coul_pppm_omp.h Copied from src/USER-OMP/pair_lj_cut_coul_long_omp.h
	P			src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.cpp Copied from src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.cpp
	P			src/USER-OMP/pair_lj_cut_coul_pppm_tip4p_omp.h Copied from src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.h
	M			src/USER-OMP/pair_lj_cut_omp.cpp
	M			src/USER-OMP/pair_lj_cut_omp.h
	M			src/USER-OMP/pair_lj_expand_omp.cpp
	M			src/USER-OMP/pair_lj_expand_omp.h
	M			src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
	M			src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.h
	M			src/USER-OMP/pair_lj_gromacs_omp.cpp
	M			src/USER-OMP/pair_lj_gromacs_omp.h
	M			src/USER-OMP/pair_lj_sf_omp.cpp
	M			src/USER-OMP/pair_lj_sf_omp.h
	M			src/USER-OMP/pair_lj_smooth_omp.cpp
	M			src/USER-OMP/pair_lj_smooth_omp.h
	D			src/USER-OMP/pair_lubricate_omp.cpp
	V			src/USER-OMP/{pair_lubricate_omp.h → improper_class2_omp.h}
	M			src/USER-OMP/pair_morse_omp.cpp
	P			src/USER-OMP/pair_morse_omp.h Copied to src/USER-OMP/improper_cvff_omp.h
	M			src/USER-OMP/pair_peri_lps_omp.cpp
	M			src/USER-OMP/pair_peri_lps_omp.h
	M			src/USER-OMP/pair_peri_pmb_omp.cpp
	M			src/USER-OMP/pair_peri_pmb_omp.h
	P			src/USER-OMP/pair_rebo_omp.cpp Copied from src/main.cpp
	P			src/USER-OMP/pair_rebo_omp.h Copied from src/MOLECULE/angle_cosine_delta.h
	M			src/USER-OMP/pair_resquared_omp.cpp
	M			src/USER-OMP/pair_resquared_omp.h
	M			src/USER-OMP/pair_soft_omp.cpp
	M			src/USER-OMP/pair_soft_omp.h
	M			src/USER-OMP/pair_sw_omp.cpp
	P			src/USER-OMP/pair_sw_omp.h Copied to src/USER-OMP/pppm_omp.h
	M			src/USER-OMP/pair_table_omp.cpp
	M			src/USER-OMP/pair_table_omp.h
	M			src/USER-OMP/pair_tersoff_omp.cpp
	M			src/USER-OMP/pair_tersoff_omp.h
	A			src/USER-OMP/pair_tri_lj_omp.cpp
	P			src/USER-OMP/pair_tri_lj_omp.h Copied from src/USER-OMP/pair_born_omp.h
	M			src/USER-OMP/pair_yukawa_colloid_omp.cpp
	M			src/USER-OMP/pair_yukawa_colloid_omp.h
	M			src/USER-OMP/pair_yukawa_omp.cpp
	M			src/USER-OMP/pair_yukawa_omp.h
	A			src/USER-OMP/pppm_omp.cpp
	P			src/USER-OMP/pppm_omp.h Copied from src/USER-OMP/pair_sw_omp.h
	A			src/USER-OMP/pppm_proxy.cpp
	P			src/USER-OMP/pppm_proxy.h Copied from src/MOLECULE/improper_harmonic.h
	A			src/USER-OMP/pppm_tip4p_proxy.cpp
	P			src/USER-OMP/pppm_tip4p_proxy.h Copied from src/MOLECULE/angle_cosine.h
	A			src/USER-OMP/thr_data.cpp
	A			src/USER-OMP/thr_data.h
	M			src/USER-OMP/thr_omp.cpp
	M			src/USER-OMP/thr_omp.h
	M			src/angle.cpp
	M			src/angle.h
	M			src/atom_vec_ellipsoid.cpp
	M			src/atom_vec_line.cpp
	M			src/atom_vec_tri.cpp
	M			src/bond.cpp
	M			src/bond.h
	M			src/bond_hybrid.h
	M			src/compute_pe_atom.cpp
	M			src/dihedral.cpp
	M			src/domain.cpp
	M			src/domain.h
	M			src/finish.cpp
	P			src/fix_nve_noforce.h Copied to src/ASPHERE/fix_nve_asphere_noforce.h
	M			src/fix_nve_sphere.cpp
	P			src/fix_nve_sphere.h Copied to src/USER-OMP/ewald_omp.h
	M			src/fix_wall.cpp
	M			src/fix_wall.h
	M			src/fix_wall_reflect.cpp
	M			src/force.cpp
	M			src/force.h
	M			src/improper.cpp
	M			src/improper.h
	M			src/input.cpp
	M			src/integrate.cpp
	M			src/integrate.h
	M			src/kspace.h
	A			src/lbalance.h
	A			src/lbalance_simple.cpp
	A			src/lbalance_simple.h
	A			src/loadbalance.cpp
	A			src/loadbalance.h
	P			src/main.cpp Copied to src/USER-OMP/pair_rebo_omp.cpp
	M			src/math_const.h
	M			src/memory.cpp
	M			src/min.cpp
	M			src/min.h
	M			src/min_cg.cpp
	M			src/min_fire.cpp
	M			src/min_hftn.cpp
	M			src/min_quickmin.cpp
	M			src/min_sd.cpp
	M			src/minimize.cpp
	M			src/neigh_full.cpp
	M			src/neigh_gran_omp.cpp
	M			src/neigh_list.cpp
	M			src/neigh_request.cpp
	M			src/neighbor.cpp
	M			src/pair.cpp
	M			src/pair.h
	M			src/pair_hybrid.cpp
	M			src/pointers.h
	M			src/read_data.cpp
	M			src/respa.cpp
	M			src/run.cpp
	M			src/thermo.cpp
	M			src/thermo.h
	M			src/timer.cpp
	M			src/timer.h
	M			src/verlet.cpp
	M			src/version.h
	M			tools/restart2data.cpp