Diffusion lammps 13b6eb1bae6c

Version 6 Oct 2016
13b6eb1bae6c
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 7 2016, 01:12.

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Version 6 Oct 2016

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Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 7 2016, 01:12

Pushed

Oct 19 2017, 09:53

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rLAMMPSd80a9def1772: Version 5 Oct 2016
rLAMMPSe9fed8092893: Merge pull request #202 from akohlmey/doc-formatting-fixes

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS13b6eb1bae6c: Version 6 Oct 2016 (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 7 2016, 01:12

Merged Changes

	Commit			Author	Details	Committed
	e9fed8092893			sjplimp/GitHub	Merge pull request #202 from akohlmey/doc-formatting-fixes	Oct 6 2016
	54fc194e5b33			sjplimp/GitHub	Merge pull request #199 from akohlmey/small-changes	Oct 6 2016
	b3d2fb91bb6c			Steve Plimpton	new fix wall/gran/region command, REBO bug fix, new example log files	Oct 6 2016
	19984c9bd17c			Axel Kohlmeyer	Revert "bugfix for AngleAngle term in CLASS2 impropers by Ivan A. Strelnikov…	Oct 6 2016
	f92618a33b74			Axel Kohlmeyer	Revert "bugfix for virial tally for improper style umbrella from Steven…	Oct 6 2016
	0b5d71537a8b			Axel Kohlmeyer	collected documentation updates and corrections from LAMMPS-ICMS	Oct 6 2016
	c2134575508a			sjplimp/GitHub	Merge pull request #197 from giacomofiorin/colvars_2016-10-05	Oct 6 2016
	0f45cd61a542			sjplimp/GitHub	Merge pull request #196 from akohlmey/charmm-cmap-updates	Oct 6 2016
	493873fb933d			Steve Plimpton	clean up doc src	Oct 6 2016
	60a031ebacef			Axel Kohlmeyer	Merge branch 'USER-DPD_pair_exp6_rx_mathfix' of https://github.	Oct 6 2016
	27e76a70b9d7			Axel Kohlmeyer	Merge branch 'USER-DPD_hybrid_atom_bugfix' of https://github.	Oct 6 2016
	e1e9a5c12604			Tim Mattox	USER-DPD: math corrections in pair_exp6_rx.cpp (by Jim Larentzos)	Oct 6 2016
	d31121b18cde			Tim Mattox	USER-DPD: bugfix in unpack_comm_hybrid(); now works with hybrid atom style	Oct 6 2016
	0853cdbe6f69			Axel Kohlmeyer	update reference data files for updated/corrected clayff parameters	Oct 6 2016
	83bcdb6a5053			Axel Kohlmeyer	bugfix for AngleAngle term in CLASS2 impropers by Ivan A. Strelnikov, ICP RAS	Oct 6 2016
	22ce6718048b			Axel Kohlmeyer	improved whitespace handling in msi2lmp for force fields and topologies	Oct 6 2016
	4921dc18a058			Axel Kohlmeyer	bugfix for virial tally for improper style umbrella from Steven Vandenbrande (U…	Oct 6 2016
	d133167bf676			Axel Kohlmeyer	Merge branch 'master' of https://github.com/albapa/lammps into small-changes	Oct 6 2016
	8ea063378eac			A Bartok-Partay	add NETCDF libs (as defined in QUIP) to the linking line if QUIP was built with…	Oct 6 2016
	fd16118cbb22			A Bartok-Partay	removed dump_modify command	Oct 6 2016
	f9f955d5b5d0			Axel Kohlmeyer	update include statement format	Oct 6 2016
	d7d321a51249			Axel Kohlmeyer	some more updates to the README file to reflect the inclusion of the CMAP…	Oct 6 2016
	8809a603fb2d			Giacomo Fiorin	Colvars update: issue a warning that cannot be ignored regarding total forces	Oct 6 2016
	969d3cf4b0c4			Giacomo Fiorin	Colvars update: make ABF check that the colvar isn't using already…	Oct 6 2016
	326fdf2cf13a			Axel Kohlmeyer	added 1GB1 example from Robert Latour and update 1AC7 example files	Oct 6 2016
	f32819dd1086			Axel Kohlmeyer	added tweak to write out the command line used for the conversion to the…	Oct 6 2016
	c07a01c661d6			Axel Kohlmeyer	import updated README file for charmm2lammps.pl with CMAP support	Oct 6 2016

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				Path
	A			doc/src/JPG/gran_funnel.png
	A			doc/src/JPG/gran_funnel_small.jpg
	A			doc/src/JPG/gran_mixer.png
	A			doc/src/JPG/gran_mixer_small.jpg
	M			doc/src/Manual.txt
	M			doc/src/Section_accelerate.txt
	M			doc/src/Section_commands.txt
	M			doc/src/Section_errors.txt
	M			doc/src/Section_example.txt
	M			doc/src/Section_history.txt
	M			doc/src/Section_howto.txt
	M			doc/src/Section_intro.txt
	M			doc/src/Section_packages.txt
	M			doc/src/Section_python.txt
	M			doc/src/Section_start.txt
	M			doc/src/Section_tools.txt
	M			doc/src/accelerate_intel.txt
	M			doc/src/accelerate_kokkos.txt
	M			doc/src/accelerate_omp.txt
	M			doc/src/angle_dipole.txt
	M			doc/src/angle_fourier.txt
	M			doc/src/angle_fourier_simple.txt
	M			doc/src/angle_quartic.txt
	M			doc/src/angle_sdk.txt
	M			doc/src/atom_modify.txt
	M			doc/src/atom_style.txt
	M			doc/src/balance.txt
	M			doc/src/body.txt
	M			doc/src/change_box.txt
	M			doc/src/comm_modify.txt
	M			doc/src/compute_cna_atom.txt
	M			doc/src/compute_dilatation_atom.txt
	M			doc/src/compute_dipole_chunk.txt
	M			doc/src/compute_dpd.txt
	M			doc/src/compute_dpd_atom.txt
	M			doc/src/compute_event_displace.txt
	M			doc/src/compute_fep.txt
	M			doc/src/compute_gyration_chunk.txt
	M			doc/src/compute_heat_flux.txt
	M			doc/src/compute_hexorder_atom.txt
	M			doc/src/compute_inertia_chunk.txt
	M			doc/src/compute_ke_atom_eff.txt
	M			doc/src/compute_ke_eff.txt
	M			doc/src/compute_modify.txt
	M			doc/src/compute_msd.txt
	M			doc/src/compute_orientorder_atom.txt
	M			doc/src/compute_pe_atom.txt
	M			doc/src/compute_plasticity_atom.txt
	M			doc/src/compute_pressure.txt
	M			doc/src/compute_property_atom.txt
	M			doc/src/compute_property_chunk.txt
	M			doc/src/compute_property_local.txt
	M			doc/src/compute_reduce.txt
	M			doc/src/compute_rigid_local.txt
	M			doc/src/compute_saed.txt
	M			doc/src/compute_smd_damage.txt
	M			doc/src/compute_sna_atom.txt
	M			doc/src/compute_stress_atom.txt
	M			doc/src/compute_tally.txt
	M			doc/src/compute_temp_asphere.txt
	M			doc/src/compute_temp_body.txt
	M			doc/src/compute_temp_cs.txt
	M			doc/src/compute_temp_drude.txt
	M			doc/src/compute_temp_eff.txt
	M			doc/src/compute_temp_region.txt
	M			doc/src/compute_temp_sphere.txt
	M			doc/src/compute_ti.txt
	M			doc/src/compute_voronoi_atom.txt
	M			doc/src/compute_xrd.txt
	M			doc/src/create_atoms.txt
	M			doc/src/delete_bonds.txt
	M			doc/src/dielectric.txt
	M			doc/src/dihedral_class2.txt
	M			doc/src/dihedral_fourier.txt
	M			doc/src/dihedral_nharmonic.txt
	M			doc/src/dihedral_quadratic.txt
	M			doc/src/dihedral_spherical.txt
	M			doc/src/dump.txt
	M			doc/src/dump_custom_vtk.txt
	M			doc/src/dump_image.txt
	M			doc/src/dump_modify.txt
	M			doc/src/fix_atc.txt
	M			doc/src/fix_atom_swap.txt
	M			doc/src/fix_ave_atom.txt
	M			doc/src/fix_ave_chunk.txt
	M			doc/src/fix_ave_correlate.txt
	M			doc/src/fix_ave_correlate_long.txt
	M			doc/src/fix_ave_histo.txt
	M			doc/src/fix_ave_time.txt
	M			doc/src/fix_balance.txt
	M			doc/src/fix_bond_break.txt
	M			doc/src/fix_bond_create.txt
	M			doc/src/fix_bond_swap.txt
	M			doc/src/fix_box_relax.txt
	M			doc/src/fix_controller.txt
	M			doc/src/fix_deform.txt
	M			doc/src/fix_drag.txt
	M			doc/src/fix_drude_transform.txt
	M			doc/src/fix_efield.txt
	M			doc/src/fix_ehex.txt
	M			doc/src/fix_eos_cv.txt
	M			doc/src/fix_eos_table.txt
	M			doc/src/fix_eos_table_rx.txt
	M			doc/src/fix_external.txt
	M			doc/src/fix_flow_gauss.txt
	M			doc/src/fix_gcmc.txt
	M			doc/src/fix_gld.txt
	M			doc/src/fix_gle.txt
	M			doc/src/fix_gravity.txt
	M			doc/src/fix_heat.txt
	M			doc/src/fix_imd.txt
	M			doc/src/fix_ipi.txt
	M			doc/src/fix_langevin.txt
	M			doc/src/fix_langevin_drude.txt
	M			doc/src/fix_langevin_eff.txt
	M			doc/src/fix_lb_fluid.txt
	M			doc/src/fix_lb_momentum.txt
	M			doc/src/fix_lb_pc.txt
	M			doc/src/fix_lb_rigid_pc_sphere.txt
	M			doc/src/fix_lb_viscous.txt
	M			doc/src/fix_lineforce.txt
	M			doc/src/fix_move.txt
	M			doc/src/fix_msst.txt
	M			doc/src/fix_neb.txt
	M			doc/src/fix_nh.txt
	M			doc/src/fix_nph_asphere.txt
	M			doc/src/fix_nph_body.txt
	M			doc/src/fix_nph_sphere.txt
	M			doc/src/fix_nphug.txt
	M			doc/src/fix_npt_asphere.txt
	M			doc/src/fix_npt_body.txt
	M			doc/src/fix_npt_sphere.txt
	M			doc/src/fix_nve_asphere.txt
	M			doc/src/fix_nve_asphere_noforce.txt
	M			doc/src/fix_nve_body.txt
	M			doc/src/fix_nve_line.txt
	M			doc/src/fix_nve_manifold_rattle.txt
	M			doc/src/fix_nve_sphere.txt
	M			doc/src/fix_nve_tri.txt
	M			doc/src/fix_nvt_asphere.txt
	M			doc/src/fix_nvt_body.txt
	M			doc/src/fix_nvt_sllod.txt
	M			doc/src/fix_nvt_sllod_eff.txt
	M			doc/src/fix_nvt_sphere.txt
	M			doc/src/fix_orient.txt
	M			doc/src/fix_phonon.txt
	M			doc/src/fix_pimd.txt
	M			doc/src/fix_pour.txt
	M			doc/src/fix_qbmsst.txt
	M			doc/src/fix_qeq.txt
	M			doc/src/fix_qeq_comb.txt
	M			doc/src/fix_qeq_reax.txt
	M			doc/src/fix_qmmm.txt
	M			doc/src/fix_qtb.txt
	M			doc/src/fix_reaxc_species.txt
	M			doc/src/fix_rigid.txt
	M			doc/src/fix_rx.txt
	M			doc/src/fix_saed_vtk.txt
	M			doc/src/fix_shake.txt
	M			doc/src/fix_shardlow.txt
	M			doc/src/fix_smd.txt
	M			doc/src/fix_smd_adjust_dt.txt
	M			doc/src/fix_smd_integrate_tlsph.txt
	M			doc/src/fix_smd_integrate_ulsph.txt
	M			doc/src/fix_smd_move_triangulated_surface.txt
	M			doc/src/fix_smd_setvel.txt
	M			doc/src/fix_smd_wall_surface.txt
	M			doc/src/fix_spring.txt
	M			doc/src/fix_spring_chunk.txt
	M			doc/src/fix_spring_self.txt
	M			doc/src/fix_store_state.txt
	M			doc/src/fix_temp_rescale_eff.txt
	M			doc/src/fix_tfmc.txt
	M			doc/src/fix_thermal_conductivity.txt
	M			doc/src/fix_ti_spring.txt
	M			doc/src/fix_ttm.txt
	M			doc/src/fix_tune_kspace.txt
	M			doc/src/fix_viscosity.txt
	M			doc/src/fix_viscous.txt
	M			doc/src/fix_wall_gran.txt
	A			doc/src/fix_wall_gran_region.txt
	M			doc/src/fix_wall_piston.txt
	M			doc/src/fix_wall_reflect.txt
	M			doc/src/fix_wall_region.txt
	M			doc/src/group.txt
	M			doc/src/group2ndx.txt
	M			doc/src/if.txt
	M			doc/src/improper_cossq.txt
	M			doc/src/improper_fourier.txt
	M			doc/src/jump.txt
	M			doc/src/kspace_modify.txt
	M			doc/src/kspace_style.txt
	M			doc/src/lattice.txt
	M			doc/src/min_modify.txt
	M			doc/src/min_style.txt
	M			doc/src/minimize.txt
	M			doc/src/molecule.txt
	M			doc/src/neb.txt
	M			doc/src/next.txt
	M			doc/src/package.txt
	M			doc/src/pair_beck.txt
	M			doc/src/pair_bop.txt
	M			doc/src/pair_comb.txt
	M			doc/src/pair_coul.txt
	M			doc/src/pair_coul_diel.txt
	M			doc/src/pair_cs.txt
	M			doc/src/pair_dipole.txt
	M			doc/src/pair_dsmc.txt
	M			doc/src/pair_eam.txt
	M			doc/src/pair_edip.txt
	M			doc/src/pair_eff.txt
	M			doc/src/pair_exp6_rx.txt
	M			doc/src/pair_gauss.txt
	M			doc/src/pair_gayberne.txt
	M			doc/src/pair_gromacs.txt
	M			doc/src/pair_hbond_dreiding.txt
	M			doc/src/pair_hybrid.txt
	M			doc/src/pair_line_lj.txt
	M			doc/src/pair_list.txt
	M			doc/src/pair_lj.txt
	M			doc/src/pair_lj_cubic.txt
	M			doc/src/pair_lj_smooth.txt
	M			doc/src/pair_lj_smooth_linear.txt
	M			doc/src/pair_lubricateU.txt
	M			doc/src/pair_meam.txt
	M			doc/src/pair_meam_sw_spline.txt
	M			doc/src/pair_mgpt.txt
	M			doc/src/pair_mie.txt
	M			doc/src/pair_morse.txt
	M			doc/src/pair_multi_lucy.txt
	M			doc/src/pair_multi_lucy_rx.txt
	M			doc/src/pair_nb3b_harmonic.txt
	M			doc/src/pair_nm.txt
	M			doc/src/pair_peri.txt
	M			doc/src/pair_polymorphic.txt
	M			doc/src/pair_quip.txt
	M			doc/src/pair_reax.txt
	M			doc/src/pair_reax_c.txt
	M			doc/src/pair_resquared.txt
	M			doc/src/pair_sdk.txt
	M			doc/src/pair_smd_hertz.txt
	M			doc/src/pair_smd_triangulated_surface.txt
	M			doc/src/pair_smtbq.txt
	M			doc/src/pair_snap.txt
	M			doc/src/pair_srp.txt
	M			doc/src/pair_style.txt
	M			doc/src/pair_sw.txt
	M			doc/src/pair_table_rx.txt
	M			doc/src/pair_tersoff.txt
	M			doc/src/pair_tersoff_mod.txt
	M			doc/src/pair_tersoff_zbl.txt
	M			doc/src/pair_thole.txt
	M			doc/src/pair_vashishta.txt
	M			doc/src/pair_zbl.txt
	M			doc/src/prd.txt
	M			doc/src/print.txt
	M			doc/src/processors.txt
	M			doc/src/python.txt
	M			doc/src/read_dump.txt
	M			doc/src/region.txt
	M			doc/src/replicate.txt
	M			doc/src/restart.txt
	M			doc/src/run.txt
	M			doc/src/run_style.txt
	M			doc/src/set.txt
	M			doc/src/special_bonds.txt
	M			doc/src/suffix.txt
	M			doc/src/tad.txt
	M			doc/src/temper.txt
	M			doc/src/thermo.txt
	M			doc/src/thermo_style.txt
	M			doc/src/timer.txt
	M			doc/src/timestep.txt
	M			doc/src/tutorial_drude.txt
	M			doc/src/units.txt
	M			doc/src/variable.txt
	M			doc/src/velocity.txt
	M			doc/src/write_coeff.txt
	M			doc/src/write_dump.txt
	M			examples/README
	M			examples/USER/quip/in.gap
	M			examples/USER/quip/in.sw
	D			examples/balance/log.27Sep16.balance.bond.fast.g++.4
	V			examples/balance/{log.27Sep16.balance.bond.slow.g++.4 → log.5Oct16.balance.bond.slow.g++.4}
	V			examples/balance/{log.27Sep16.balance.clock.dynamic.g++.4 → log.5Oct16.balance.clock.dynamic.g++.4}
	V			examples/balance/{log.27Sep16.balance.clock.static.g++.4 → log.5Oct16.balance.clock.static.g++.4}
	D			examples/balance/log.27Sep16.balance.g++.4
	V			examples/balance/{log.27Sep16.balance.group.dynamic.g++.4 → log.5Oct16.balance.group.dynamic.g++.4}
	V			examples/balance/{log.27Sep16.balance.group.static.g++.4 → log.5Oct16.balance.group.static.g++.4}
	V			examples/balance/{log.27Sep16.balance.kspace.g++.4 → log.5Oct16.balance.kspace.g++.4}
	V			examples/balance/{log.27Sep16.balance.neigh.dynamic.g++.4 → log.5Oct16.balance.neigh.dynamic.g++.4}
	V			examples/balance/{log.27Sep16.balance.neigh.rcb.g++.4 → log.5Oct16.balance.neigh.rcb.g++.4}
	V			examples/balance/{log.27Sep16.balance.neigh.static.g++.4 → log.5Oct16.balance.neigh.static.g++.4}
	V			examples/balance/{log.27Sep16.balance.var.dynamic.g++.2 → log.5Oct16.balance.var.dynamic.g++.2}
	A			examples/balance/log.5Oct16.balance.bond.fast.g++.4
	V			examples/balance/{log.5Oct16.balance.bond.slow.g++.4 ← log.27Sep16.balance.bond.slow.g++.4}
	V			examples/balance/{log.5Oct16.balance.clock.dynamic.g++.4 ← log.27Sep16.balance.clock.dynamic.g++.4}
	V			examples/balance/{log.5Oct16.balance.clock.static.g++.4 ← log.27Sep16.balance.clock.static.g++.4}
	A			examples/balance/log.5Oct16.balance.g++.4
	V			examples/balance/{log.5Oct16.balance.group.dynamic.g++.4 ← log.27Sep16.balance.group.dynamic.g++.4}
	V			examples/balance/{log.5Oct16.balance.group.static.g++.4 ← log.27Sep16.balance.group.static.g++.4}
	V			examples/balance/{log.5Oct16.balance.kspace.g++.4 ← log.27Sep16.balance.kspace.g++.4}
	V			examples/balance/{log.5Oct16.balance.neigh.dynamic.g++.4 ← log.27Sep16.balance.neigh.dynamic.g++.4}
	V			examples/balance/{log.5Oct16.balance.neigh.rcb.g++.4 ← log.27Sep16.balance.neigh.rcb.g++.4}
	V			examples/balance/{log.5Oct16.balance.neigh.static.g++.4 ← log.27Sep16.balance.neigh.static.g++.4}
	V			examples/balance/{log.5Oct16.balance.var.dynamic.g++.2 ← log.27Sep16.balance.var.dynamic.g++.2}
	D			examples/body/log.15Feb16.body.g++.1
	D			examples/body/log.15Feb16.body.g++.4
	A			examples/body/log.5Oct16.body.g++.1
	A			examples/body/log.5Oct16.body.g++.4
	V			examples/cmap/{log.23Sep16.cmap.g++.1 → log.5Oct16.cmap.g++.1}
	V			examples/cmap/{log.23Sep16.cmap.g++.4 → log.5Oct16.cmap.g++.4}
	V			examples/cmap/{log.5Oct16.cmap.g++.1 ← log.23Sep16.cmap.g++.1}
	V			examples/cmap/{log.5Oct16.cmap.g++.4 ← log.23Sep16.cmap.g++.4}
	V			examples/colloid/{log.15Feb16.colloid.g++.1 → log.5Oct16.colloid.g++.1}
	V			examples/colloid/{log.15Feb16.colloid.g++.4 → log.5Oct16.colloid.g++.4}
	V			examples/colloid/{log.5Oct16.colloid.g++.1 ← log.15Feb16.colloid.g++.1}
	V			examples/colloid/{log.5Oct16.colloid.g++.4 ← log.15Feb16.colloid.g++.4}
	V			examples/comb/{log.15Feb16.comb.Cu.g++.1 → log.5Oct16.comb.Cu.g++.1}
	V			examples/comb/{log.15Feb16.comb.Cu.g++.4 → log.5Oct16.comb.Cu.g++.4}
	V			examples/comb/{log.15Feb16.comb.Cu2O.elastic.g++.1 → log.5Oct16.comb.Cu2O.elastic.g++.1}
	V			examples/comb/{log.15Feb16.comb.Cu2O.elastic.g++.4 → log.5Oct16.comb.Cu2O.elastic.g++.4}
	V			examples/comb/{log.15Feb16.comb.HfO2.g++.1 → log.5Oct16.comb.HfO2.g++.1}
	V			examples/comb/{log.15Feb16.comb.HfO2.g++.4 → log.5Oct16.comb.HfO2.g++.4}
	V			examples/comb/{log.15Feb16.comb.Si.elastic.g++.1 → log.5Oct16.comb.Si.elastic.g++.1}
	V			examples/comb/{log.15Feb16.comb.Si.elastic.g++.4 → log.5Oct16.comb.Si.elastic.g++.4}
	V			examples/comb/{log.15Feb16.comb.Si.g++.1 → log.5Oct16.comb.Si.g++.1}
	V			examples/comb/{log.15Feb16.comb.Si.g++.4 → log.5Oct16.comb.Si.g++.4}
	V			examples/comb/{log.15Feb16.comb3.g++.1 → log.5Oct16.comb3.g++.1}
	V			examples/comb/{log.15Feb16.comb3.g++.4 → log.5Oct16.comb3.g++.4}
	V			examples/comb/{log.5Oct16.comb.Cu.g++.1 ← log.15Feb16.comb.Cu.g++.1}
	V			examples/comb/{log.5Oct16.comb.Cu.g++.4 ← log.15Feb16.comb.Cu.g++.4}
	V			examples/comb/{log.5Oct16.comb.Cu2O.elastic.g++.1 ← log.15Feb16.comb.Cu2O.elastic.g++.1}
	V			examples/comb/{log.5Oct16.comb.Cu2O.elastic.g++.4 ← log.15Feb16.comb.Cu2O.elastic.g++.4}
	V			examples/comb/{log.5Oct16.comb.HfO2.g++.1 ← log.15Feb16.comb.HfO2.g++.1}
	V			examples/comb/{log.5Oct16.comb.HfO2.g++.4 ← log.15Feb16.comb.HfO2.g++.4}
	V			examples/comb/{log.5Oct16.comb.Si.elastic.g++.1 ← log.15Feb16.comb.Si.elastic.g++.1}
	V			examples/comb/{log.5Oct16.comb.Si.elastic.g++.4 ← log.15Feb16.comb.Si.elastic.g++.4}
	V			examples/comb/{log.5Oct16.comb.Si.g++.1 ← log.15Feb16.comb.Si.g++.1}
	V			examples/comb/{log.5Oct16.comb.Si.g++.4 ← log.15Feb16.comb.Si.g++.4}
	V			examples/comb/{log.5Oct16.comb3.g++.1 ← log.15Feb16.comb3.g++.1}
	V			examples/comb/{log.5Oct16.comb3.g++.4 ← log.15Feb16.comb3.g++.4}
	V			examples/controller/{log.5Aug16.controller.g++.1 → log.5Oct16.controller.g++.1}
	V			examples/controller/{log.5Aug16.controller.g++.4 → log.5Oct16.controller.g++.4}
	V			examples/controller/{log.5Oct16.controller.g++.1 ← log.5Aug16.controller.g++.1}
	V			examples/controller/{log.5Oct16.controller.g++.4 ← log.5Aug16.controller.g++.4}
	A			examples/coreshell/log.5Oct16.coreshell.g++.1
	A			examples/coreshell/log.5Oct16.coreshell.g++.4
	D			examples/coreshell/log.coreshell.6Mar15.linux.1
	D			examples/coreshell/log.coreshell.6Mar15.linux.4
	V			examples/crack/{log.15Feb16.crack.g++.1 → log.5Oct16.crack.g++.1}
	V			examples/crack/{log.15Feb16.crack.g++.4 → log.5Oct16.crack.g++.4}
	V			examples/crack/{log.5Oct16.crack.g++.1 ← log.15Feb16.crack.g++.1}
	V			examples/crack/{log.5Oct16.crack.g++.4 ← log.15Feb16.crack.g++.4}
	V			examples/deposit/{log.15Feb16.deposit.atom.g++.1 → log.5Oct16.deposit.atom.g++.1}
	V			examples/deposit/{log.15Feb16.deposit.atom.g++.4 → log.5Oct16.deposit.atom.g++.4}
	V			examples/deposit/{log.15Feb16.deposit.molecule.g++.1 → log.5Oct16.deposit.molecule.g++.1}
	V			examples/deposit/{log.15Feb16.deposit.molecule.g++.4 → log.5Oct16.deposit.molecule.g++.4}
	V			examples/deposit/{log.15Feb16.deposit.molecule.shake.g++.1 → log.5Oct16.deposit.molecule.shake.g++.1}
	V			examples/deposit/{log.15Feb16.deposit.molecule.shake.g++.4 → log.5Oct16.deposit.molecule.shake.g++.4}
	V			examples/deposit/{log.5Oct16.deposit.atom.g++.1 ← log.15Feb16.deposit.atom.g++.1}
	V			examples/deposit/{log.5Oct16.deposit.atom.g++.4 ← log.15Feb16.deposit.atom.g++.4}
	V			examples/deposit/{log.5Oct16.deposit.molecule.g++.1 ← log.15Feb16.deposit.molecule.g++.1}
	V			examples/deposit/{log.5Oct16.deposit.molecule.g++.4 ← log.15Feb16.deposit.molecule.g++.4}
	V			examples/deposit/{log.5Oct16.deposit.molecule.shake.g++.1 ← log.15Feb16.deposit.molecule.shake.g++.1}
	V			examples/deposit/{log.5Oct16.deposit.molecule.shake.g++.4 ← log.15Feb16.deposit.molecule.shake.g++.4}
	V			examples/dipole/{log.15Feb16.dipole.g++.1 → log.5Oct16.dipole.g++.1}
	V			examples/dipole/{log.15Feb16.dipole.g++.4 → log.5Oct16.dipole.g++.4}
	V			examples/dipole/{log.5Oct16.dipole.g++.1 ← log.15Feb16.dipole.g++.1}
	V			examples/dipole/{log.5Oct16.dipole.g++.4 ← log.15Feb16.dipole.g++.4}
	V			examples/dreiding/{log.15Feb16.dreiding.g++.1 → log.5Oct16.dreiding.g++.1}
	V			examples/dreiding/{log.15Feb16.dreiding.g++.4 → log.5Oct16.dreiding.g++.4}
	V			examples/dreiding/{log.5Oct16.dreiding.g++.1 ← log.15Feb16.dreiding.g++.1}
	V			examples/dreiding/{log.5Oct16.dreiding.g++.4 ← log.15Feb16.dreiding.g++.4}
	V			examples/eim/{log.15Feb16.eim.g++.1 → log.5Oct16.eim.g++.1}
	V			examples/eim/{log.15Feb16.eim.g++.4 → log.5Oct16.eim.g++.4}
	V			examples/eim/{log.5Oct16.eim.g++.1 ← log.15Feb16.eim.g++.1}
	V			examples/eim/{log.5Oct16.eim.g++.4 ← log.15Feb16.eim.g++.4}
	V			examples/ellipse/{log.15Feb16.ellipse.gayberne.g++.1 → log.5Oct16.ellipse.gayberne.g++.1}
	V			examples/ellipse/{log.15Feb16.ellipse.gayberne.g++.4 → log.5Oct16.ellipse.gayberne.g++.4}
	V			examples/ellipse/{log.15Feb16.ellipse.resquared.g++.1 → log.5Oct16.ellipse.resquared.g++.1}
	V			examples/ellipse/{log.15Feb16.ellipse.resquared.g++.4 → log.5Oct16.ellipse.resquared.g++.4}
	V			examples/ellipse/{log.5Oct16.ellipse.gayberne.g++.1 ← log.15Feb16.ellipse.gayberne.g++.1}
	V			examples/ellipse/{log.5Oct16.ellipse.gayberne.g++.4 ← log.15Feb16.ellipse.gayberne.g++.4}
	V			examples/ellipse/{log.5Oct16.ellipse.resquared.g++.1 ← log.15Feb16.ellipse.resquared.g++.1}
	V			examples/ellipse/{log.5Oct16.ellipse.resquared.g++.4 ← log.15Feb16.ellipse.resquared.g++.4}
	V			examples/flow/{log.15Feb16.flow.couette.g++.1 → log.5Oct16.flow.couette.g++.1}
	V			examples/flow/{log.15Feb16.flow.couette.g++.4 → log.5Oct16.flow.couette.g++.4}
	V			examples/flow/{log.15Feb16.flow.pois.g++.1 → log.5Oct16.flow.pois.g++.1}
	V			examples/flow/{log.15Feb16.flow.pois.g++.4 → log.5Oct16.flow.pois.g++.4}
	V			examples/flow/{log.5Oct16.flow.couette.g++.1 ← log.15Feb16.flow.couette.g++.1}
	V			examples/flow/{log.5Oct16.flow.couette.g++.4 ← log.15Feb16.flow.couette.g++.4}
	V			examples/flow/{log.5Oct16.flow.pois.g++.1 ← log.15Feb16.flow.pois.g++.1}
	V			examples/flow/{log.5Oct16.flow.pois.g++.4 ← log.15Feb16.flow.pois.g++.4}
	V			examples/friction/{log.15Feb16.friction.g++.1 → log.5Oct16.friction.g++.1}
	V			examples/friction/{log.15Feb16.friction.g++.4 → log.5Oct16.friction.g++.4}
	V			examples/friction/{log.5Oct16.friction.g++.1 ← log.15Feb16.friction.g++.1}
	V			examples/friction/{log.5Oct16.friction.g++.4 ← log.15Feb16.friction.g++.4}
	A		(dir)	examples/granregion/
	A			examples/granregion/in.granregion.box
	A			examples/granregion/in.granregion.funnel
	A			examples/granregion/in.granregion.mixer
	A			examples/granregion/log.6Oct16.granregion.box.g++.1
	A			examples/granregion/log.6Oct16.granregion.box.g++.4
	A			examples/granregion/log.6Oct16.granregion.funnel.g++.1
	A			examples/granregion/log.6Oct16.granregion.funnel.g++.4
	A			examples/granregion/log.6Oct16.granregion.mixer.g++.1
	A			examples/granregion/log.6Oct16.granregion.mixer.g++.4
	V			examples/hugoniostat/{log.15Feb16.hugoniostat.g++.1 → log.5Oct16.hugoniostat.g++.1}
	V			examples/hugoniostat/{log.15Feb16.hugoniostat.g++.4 → log.5Oct16.hugoniostat.g++.4}
	V			examples/hugoniostat/{log.5Oct16.hugoniostat.g++.1 ← log.15Feb16.hugoniostat.g++.1}
	V			examples/hugoniostat/{log.5Oct16.hugoniostat.g++.4 ← log.15Feb16.hugoniostat.g++.4}
	V			examples/indent/{log.15Feb16.indent.g++.1 → log.5Oct16.indent.g++.1}
	V			examples/indent/{log.15Feb16.indent.g++.4 → log.5Oct16.indent.g++.4}
	V			examples/indent/{log.15Feb16.indent.min.g++.1 → log.5Oct16.indent.min.g++.1}
	V			examples/indent/{log.15Feb16.indent.min.g++.4 → log.5Oct16.indent.min.g++.4}
	V			examples/indent/{log.5Oct16.indent.g++.1 ← log.15Feb16.indent.g++.1}
	V			examples/indent/{log.5Oct16.indent.g++.4 ← log.15Feb16.indent.g++.4}
	V			examples/indent/{log.5Oct16.indent.min.g++.1 ← log.15Feb16.indent.min.g++.1}
	V			examples/indent/{log.5Oct16.indent.min.g++.4 ← log.15Feb16.indent.min.g++.4}
	V			examples/kim/{log.28Jun15.kim.lj.lmp.ubuntu.1 ← log.kim.lj.lmp.28Jun15.ubuntu.1}
	V			examples/kim/{log.28Jun15.kim.lj.lmp.ubuntu.4 ← log.kim.lj.lmp.28Jun15.ubuntu.4}
	V			examples/kim/{log.28Jun15.kim.lj.ubuntu.1 ← log.kim.lj.28Jun15.ubuntu.1}
	V			examples/kim/{log.28Jun15.kim.lj.ubuntu.4 ← log.kim.lj.28Jun15.ubuntu.4}
	V			examples/kim/{log.kim.lj.28Jun15.ubuntu.1 → log.28Jun15.kim.lj.ubuntu.1}
	V			examples/kim/{log.kim.lj.28Jun15.ubuntu.4 → log.28Jun15.kim.lj.ubuntu.4}
	V			examples/kim/{log.kim.lj.lmp.28Jun15.ubuntu.1 → log.28Jun15.kim.lj.lmp.ubuntu.1}
	V			examples/kim/{log.kim.lj.lmp.28Jun15.ubuntu.4 → log.28Jun15.kim.lj.lmp.ubuntu.4}
	V			examples/meam/{log.15Feb16.meam.icc.1 → log.5Oct16.meam.icc.1}
	V			examples/meam/{log.15Feb16.meam.icc.4 → log.5Oct16.meam.icc.4}
	D			examples/meam/log.15Feb16.meam.shear.icc.1
	D			examples/meam/log.15Feb16.meam.shear.icc.4
	V			examples/meam/{log.5Oct16.meam.icc.1 ← log.15Feb16.meam.icc.1}
	V			examples/meam/{log.5Oct16.meam.icc.4 ← log.15Feb16.meam.icc.4}
	A			examples/meam/log.5Oct16.meam.shear.icc.1
	A			examples/meam/log.5Oct16.meam.shear.icc.4
	V			examples/melt/{log.15Feb16.melt.g++.1 → log.5Oct16.melt.g++.1}
	V			examples/melt/{log.15Feb16.melt.g++.4 → log.5Oct16.melt.g++.4}
	V			examples/melt/{log.5Oct16.melt.g++.1 ← log.15Feb16.melt.g++.1}
	V			examples/melt/{log.5Oct16.melt.g++.4 ← log.15Feb16.melt.g++.4}
	V			examples/micelle/{log.15Feb16.micelle.g++.1 → log.5Oct16.micelle.g++.1}
	V			examples/micelle/{log.15Feb16.micelle.g++.4 → log.5Oct16.micelle.g++.4}
	V			examples/micelle/{log.5Oct16.micelle.g++.1 ← log.15Feb16.micelle.g++.1}
	V			examples/micelle/{log.5Oct16.micelle.g++.4 ← log.15Feb16.micelle.g++.4}
	V			examples/min/{log.15Feb16.min.box.g++.1 → log.5Oct16.min.box.g++.1}
	V			examples/min/{log.15Feb16.min.box.g++.4 → log.5Oct16.min.box.g++.4}
	V			examples/min/{log.15Feb16.min.g++.1 → log.5Oct16.min.g++.1}
	V			examples/min/{log.15Feb16.min.g++.4 → log.5Oct16.min.g++.4}
	V			examples/min/{log.5Oct16.min.box.g++.1 ← log.15Feb16.min.box.g++.1}
	V			examples/min/{log.5Oct16.min.box.g++.4 ← log.15Feb16.min.box.g++.4}
	V			examples/min/{log.5Oct16.min.g++.1 ← log.15Feb16.min.g++.1}
	V			examples/min/{log.5Oct16.min.g++.4 ← log.15Feb16.min.g++.4}
	V			examples/msst/{log.15Feb16.msst.g++.1 → log.5Oct16.msst.g++.1}
	V			examples/msst/{log.15Feb16.msst.g++.4 → log.5Oct16.msst.g++.4}
	V			examples/msst/{log.5Oct16.msst.g++.1 ← log.15Feb16.msst.g++.1}
	V			examples/msst/{log.5Oct16.msst.g++.4 ← log.15Feb16.msst.g++.4}
	V			examples/nb3b/{log.15Feb16.nb3b.g++.1 → log.5Oct16.nb3b.g++.1}
	V			examples/nb3b/{log.15Feb16.nb3b.g++.4 → log.5Oct16.nb3b.g++.4}
	V			examples/nb3b/{log.5Oct16.nb3b.g++.1 ← log.15Feb16.nb3b.g++.1}
	V			examples/nb3b/{log.5Oct16.nb3b.g++.4 ← log.15Feb16.nb3b.g++.4}
	V			examples/neb/{log.28Sep16.neb.hop1.g++.4 → log.5Oct16.neb.hop1.g++.4}
	V			examples/neb/{log.28Sep16.neb.hop1.g++.8 → log.5Oct16.neb.hop1.g++.8}
	V			examples/neb/{log.28Sep16.neb.hop2.g++.4 → log.5Oct16.neb.hop2.g++.4}
	V			examples/neb/{log.28Sep16.neb.hop2.g++.8 → log.5Oct16.neb.hop2.g++.8}
	V			examples/neb/{log.28Sep16.neb.sivac.g++.3 → log.5Oct16.neb.sivac.g++.3}
	V			examples/neb/{log.28Sep16.neb.sivac.g++.6 → log.5Oct16.neb.sivac.g++.6}
	V			examples/neb/{log.28Sep16.neb.sivac.g++.9 → log.5Oct16.neb.sivac.g++.9}
	V			examples/neb/{log.5Oct16.neb.hop1.g++.4 ← log.28Sep16.neb.hop1.g++.4}
	V			examples/neb/{log.5Oct16.neb.hop1.g++.8 ← log.28Sep16.neb.hop1.g++.8}
	V			examples/neb/{log.5Oct16.neb.hop2.g++.4 ← log.28Sep16.neb.hop2.g++.4}
	V			examples/neb/{log.5Oct16.neb.hop2.g++.8 ← log.28Sep16.neb.hop2.g++.8}
	V			examples/neb/{log.5Oct16.neb.sivac.g++.3 ← log.28Sep16.neb.sivac.g++.3}
	V			examples/neb/{log.5Oct16.neb.sivac.g++.6 ← log.28Sep16.neb.sivac.g++.6}
	V			examples/neb/{log.5Oct16.neb.sivac.g++.9 ← log.28Sep16.neb.sivac.g++.9}
	V			examples/nemd/{log.15Feb16.nemd.g++.1 → log.5Oct16.nemd.g++.1}
	V			examples/nemd/{log.15Feb16.nemd.g++.4 → log.5Oct16.nemd.g++.4}
	V			examples/nemd/{log.5Oct16.nemd.g++.1 ← log.15Feb16.nemd.g++.1}
	V			examples/nemd/{log.5Oct16.nemd.g++.4 ← log.15Feb16.nemd.g++.4}
	V			examples/obstacle/{log.15Feb16.obstacle.g++.1 → log.5Oct16.obstacle.g++.1}
	V			examples/obstacle/{log.15Feb16.obstacle.g++.4 → log.5Oct16.obstacle.g++.4}
	V			examples/obstacle/{log.5Oct16.obstacle.g++.1 ← log.15Feb16.obstacle.g++.1}
	V			examples/obstacle/{log.5Oct16.obstacle.g++.4 ← log.15Feb16.obstacle.g++.4}
	D			examples/peptide/log.15Feb16.peptide.g++.1
	D			examples/peptide/log.15Feb16.peptide.g++.4
	A			examples/peptide/log.5Oct16.peptide.g++.1
	A			examples/peptide/log.5Oct16.peptide.g++.4
	V			examples/peri/{log.15Feb16.peri.g++.1 → log.5Oct16.peri.g++.1}
	V			examples/peri/{log.15Feb16.peri.g++.4 → log.5Oct16.peri.g++.4}
	V			examples/peri/{log.5Oct16.peri.g++.1 ← log.15Feb16.peri.g++.1}
	V			examples/peri/{log.5Oct16.peri.g++.4 ← log.15Feb16.peri.g++.4}
	V			examples/pour/{log.15Feb16.pour.2d.g++.1 → log.5Oct16.pour.2d.g++.1}
	V			examples/pour/{log.15Feb16.pour.2d.g++.4 → log.5Oct16.pour.2d.g++.4}
	V			examples/pour/{log.15Feb16.pour.2d.molecule.g++.1 → log.5Oct16.pour.2d.molecule.g++.1}
	V			examples/pour/{log.15Feb16.pour.2d.molecule.g++.4 → log.5Oct16.pour.2d.molecule.g++.4}
	V			examples/pour/{log.15Feb16.pour.g++.1 → log.5Oct16.pour.g++.1}
	V			examples/pour/{log.15Feb16.pour.g++.4 → log.5Oct16.pour.g++.4}
	V			examples/pour/{log.5Oct16.pour.2d.g++.1 ← log.15Feb16.pour.2d.g++.1}
	V			examples/pour/{log.5Oct16.pour.2d.g++.4 ← log.15Feb16.pour.2d.g++.4}
	V			examples/pour/{log.5Oct16.pour.2d.molecule.g++.1 ← log.15Feb16.pour.2d.molecule.g++.1}
	V			examples/pour/{log.5Oct16.pour.2d.molecule.g++.4 ← log.15Feb16.pour.2d.molecule.g++.4}
	V			examples/pour/{log.5Oct16.pour.g++.1 ← log.15Feb16.pour.g++.1}
	V			examples/pour/{log.5Oct16.pour.g++.4 ← log.15Feb16.pour.g++.4}
	D			examples/prd/log.29Sep16.prd.g++.4
	D			examples/prd/log.29Sep16.prd.g++.8
	A			examples/prd/log.5Oct16.prd.g++.4
	A			examples/prd/log.5Oct16.prd.g++.8
	V			examples/prd/{screen.29Sep16.prd.g++.4.0 → screen.5Oct16.prd.g++.4.0}
	V			examples/prd/{screen.29Sep16.prd.g++.4.1 → screen.5Oct16.prd.g++.4.1}
	V			examples/prd/{screen.29Sep16.prd.g++.4.2 → screen.5Oct16.prd.g++.4.2}
	V			examples/prd/{screen.29Sep16.prd.g++.4.3 → screen.5Oct16.prd.g++.4.3}
	V			examples/prd/{screen.29Sep16.prd.g++.8.0 → screen.5Oct16.prd.g++.8.0}
	V			examples/prd/{screen.29Sep16.prd.g++.8.1 → screen.5Oct16.prd.g++.8.1}
	V			examples/prd/{screen.29Sep16.prd.g++.8.2 → screen.5Oct16.prd.g++.8.2}
	V			examples/prd/{screen.29Sep16.prd.g++.8.3 → screen.5Oct16.prd.g++.8.3}
	V			examples/prd/{screen.5Oct16.prd.g++.4.0 ← screen.29Sep16.prd.g++.4.0}
	V			examples/prd/{screen.5Oct16.prd.g++.4.1 ← screen.29Sep16.prd.g++.4.1}
	V			examples/prd/{screen.5Oct16.prd.g++.4.2 ← screen.29Sep16.prd.g++.4.2}
	V			examples/prd/{screen.5Oct16.prd.g++.4.3 ← screen.29Sep16.prd.g++.4.3}
	V			examples/prd/{screen.5Oct16.prd.g++.8.0 ← screen.29Sep16.prd.g++.8.0}
	V			examples/prd/{screen.5Oct16.prd.g++.8.1 ← screen.29Sep16.prd.g++.8.1}
	V			examples/prd/{screen.5Oct16.prd.g++.8.2 ← screen.29Sep16.prd.g++.8.2}
	V			examples/prd/{screen.5Oct16.prd.g++.8.3 ← screen.29Sep16.prd.g++.8.3}
	V			examples/python/{log.5Oct16.python.g++.1 ← log.python.17Mar15.linux.1}
	V			examples/python/{log.5Oct16.python.g++.4 ← log.python.17Mar15.linux.4}
	V			examples/python/{log.python.17Mar15.linux.1 → log.5Oct16.python.g++.1}
	V			examples/python/{log.python.17Mar15.linux.4 → log.5Oct16.python.g++.4}
	V			examples/qeq/{log.15Feb16.qeq.buck.g++.1 → log.5Oct16.qeq.buck.g++.1}
	V			examples/qeq/{log.15Feb16.qeq.buck.g++.4 → log.5Oct16.qeq.buck.g++.4}
	V			examples/qeq/{log.15Feb16.qeq.reaxc.g++.1 → log.5Oct16.qeq.reaxc.g++.1}
	V			examples/qeq/{log.15Feb16.qeq.reaxc.g++.4 → log.5Oct16.qeq.reaxc.g++.4}
	V			examples/qeq/{log.5Oct16.qeq.buck.g++.1 ← log.15Feb16.qeq.buck.g++.1}
	V			examples/qeq/{log.5Oct16.qeq.buck.g++.4 ← log.15Feb16.qeq.buck.g++.4}
	V			examples/qeq/{log.5Oct16.qeq.reaxc.g++.1 ← log.15Feb16.qeq.reaxc.g++.1}
	V			examples/qeq/{log.5Oct16.qeq.reaxc.g++.4 ← log.15Feb16.qeq.reaxc.g++.4}
	V			examples/reax/AB/{log.15Feb16.AB.g++.1 → log.5Oct16.AB.g++.1}
	V			examples/reax/AB/{log.15Feb16.AB.g++.4 → log.5Oct16.AB.g++.4}
	V			examples/reax/AB/{log.5Oct16.AB.g++.1 ← log.15Feb16.AB.g++.1}
	V			examples/reax/AB/{log.5Oct16.AB.g++.4 ← log.15Feb16.AB.g++.4}
	D			examples/reax/AB/log.cite
	D			examples/reax/AB/log.lammps
	V			examples/reax/AuO/{log.15Feb16.AuO.g++.1 → log.5Oct16.AuO.g++.1}
	V			examples/reax/AuO/{log.15Feb16.AuO.g++.4 → log.5Oct16.AuO.g++.4}
	V			examples/reax/AuO/{log.5Oct16.AuO.g++.1 ← log.15Feb16.AuO.g++.1}
	V			examples/reax/AuO/{log.5Oct16.AuO.g++.4 ← log.15Feb16.AuO.g++.4}
	V			examples/reax/CHO/{log.15Feb16.CHO.g++.1 → log.5Oct16.CHO.g++.1}
	V			examples/reax/CHO/{log.15Feb16.CHO.g++.4 → log.5Oct16.CHO.g++.4}
	V			examples/reax/CHO/{log.5Oct16.CHO.g++.1 ← log.15Feb16.CHO.g++.1}
	V			examples/reax/CHO/{log.5Oct16.CHO.g++.4 ← log.15Feb16.CHO.g++.4}
	V			examples/reax/FC/{log.15Feb16.FC.g++.1 → log.5Oct16.FC.g++.1}
	V			examples/reax/FC/{log.15Feb16.FC.g++.4 → log.5Oct16.FC.g++.4}
	V			examples/reax/FC/{log.5Oct16.FC.g++.1 ← log.15Feb16.FC.g++.1}
	V			examples/reax/FC/{log.5Oct16.FC.g++.4 ← log.15Feb16.FC.g++.4}
	V			examples/reax/FeOH3/{log.15Feb16.FeOH3.g++.1 → log.5Oct16.FeOH3.g++.1}
	V			examples/reax/FeOH3/{log.15Feb16.FeOH3.g++.4 → log.5Oct16.FeOH3.g++.4}
	V			examples/reax/FeOH3/{log.5Oct16.FeOH3.g++.1 ← log.15Feb16.FeOH3.g++.1}
	V			examples/reax/FeOH3/{log.5Oct16.FeOH3.g++.4 ← log.15Feb16.FeOH3.g++.4}
	V			examples/reax/RDX/{log.15Feb16.RDX.g++.1 → log.5Oct16.RDX.g++.1}
	V			examples/reax/RDX/{log.15Feb16.RDX.g++.4 → log.5Oct16.RDX.g++.4}
	V			examples/reax/RDX/{log.5Oct16.RDX.g++.1 ← log.15Feb16.RDX.g++.1}
	V			examples/reax/RDX/{log.5Oct16.RDX.g++.4 ← log.15Feb16.RDX.g++.4}
	V			examples/reax/VOH/{log.15Feb16.VOH.g++.1 → log.5Oct16.VOH.g++.1}
	V			examples/reax/VOH/{log.15Feb16.VOH.g++.4 → log.5Oct16.VOH.g++.4}
	V			examples/reax/VOH/{log.5Oct16.VOH.g++.1 ← log.15Feb16.VOH.g++.1}
	V			examples/reax/VOH/{log.5Oct16.VOH.g++.4 ← log.15Feb16.VOH.g++.4}
	V			examples/reax/ZnOH2/{log.15Feb16.ZnOH2.g++.1 → log.5Oct16.ZnOH2.g++.1}
	V			examples/reax/ZnOH2/{log.15Feb16.ZnOH2.g++.4 → log.5Oct16.ZnOH2.g++.4}
	V			examples/reax/ZnOH2/{log.5Oct16.ZnOH2.g++.1 ← log.15Feb16.ZnOH2.g++.1}
	V			examples/reax/ZnOH2/{log.5Oct16.ZnOH2.g++.4 ← log.15Feb16.ZnOH2.g++.4}
	V			examples/reax/{log.15Feb16.reax.rdx.g++.1 → log.5Oct16.reax.rdx.g++.1}
	V			examples/reax/{log.15Feb16.reax.rdx.g++.4 → log.5Oct16.reax.rdx.g++.4}
	V			examples/reax/{log.15Feb16.reax.tatb.g++.1 → log.5Oct16.reax.tatb.g++.1}
	V			examples/reax/{log.15Feb16.reax.tatb.g++.4 → log.5Oct16.reax.tatb.g++.4}
	V			examples/reax/{log.15Feb16.reaxc.rdx.g++.1 → log.5Oct16.reaxc.rdx.g++.1}
	V			examples/reax/{log.15Feb16.reaxc.rdx.g++.4 → log.5Oct16.reaxc.rdx.g++.4}
	V			examples/reax/{log.15Feb16.reaxc.tatb.g++.1 → log.5Oct16.reaxc.tatb.g++.1}
	V			examples/reax/{log.15Feb16.reaxc.tatb.g++.4 → log.5Oct16.reaxc.tatb.g++.4}
	V			examples/reax/{log.5Oct16.reax.rdx.g++.1 ← log.15Feb16.reax.rdx.g++.1}
	V			examples/reax/{log.5Oct16.reax.rdx.g++.4 ← log.15Feb16.reax.rdx.g++.4}
	V			examples/reax/{log.5Oct16.reax.tatb.g++.1 ← log.15Feb16.reax.tatb.g++.1}
	V			examples/reax/{log.5Oct16.reax.tatb.g++.4 ← log.15Feb16.reax.tatb.g++.4}
	V			examples/reax/{log.5Oct16.reaxc.rdx.g++.1 ← log.15Feb16.reaxc.rdx.g++.1}
	V			examples/reax/{log.5Oct16.reaxc.rdx.g++.4 ← log.15Feb16.reaxc.rdx.g++.4}
	V			examples/reax/{log.5Oct16.reaxc.tatb.g++.1 ← log.15Feb16.reaxc.tatb.g++.1}
	V			examples/reax/{log.5Oct16.reaxc.tatb.g++.4 ← log.15Feb16.reaxc.tatb.g++.4}
	V			examples/rigid/{log.15Feb16.rigid.g++.1 → log.5Oct16.rigid.g++.1}
	V			examples/rigid/{log.15Feb16.rigid.g++.4 → log.5Oct16.rigid.g++.4}
	V			examples/rigid/{log.15Feb16.rigid.poems.g++.1 → log.5Oct16.rigid.poems.g++.1}
	V			examples/rigid/{log.15Feb16.rigid.poems.g++.4 → log.5Oct16.rigid.poems.g++.4}
	V			examples/rigid/{log.15Feb16.rigid.poems2.g++.1 → log.5Oct16.rigid.poems2.g++.1}
	V			examples/rigid/{log.15Feb16.rigid.poems2.g++.4 → log.5Oct16.rigid.poems2.g++.4}
	V			examples/rigid/{log.15Feb16.rigid.tnr.g++.1 → log.5Oct16.rigid.tnr.g++.1}
	V			examples/rigid/{log.15Feb16.rigid.tnr.g++.4 → log.5Oct16.rigid.tnr.g++.4}
	V			examples/rigid/{log.5Oct16.rigid.g++.1 ← log.15Feb16.rigid.g++.1}
	V			examples/rigid/{log.5Oct16.rigid.g++.4 ← log.15Feb16.rigid.g++.4}
	V			examples/rigid/{log.5Oct16.rigid.poems.g++.1 ← log.15Feb16.rigid.poems.g++.1}
	V			examples/rigid/{log.5Oct16.rigid.poems.g++.4 ← log.15Feb16.rigid.poems.g++.4}
	V			examples/rigid/{log.5Oct16.rigid.poems2.g++.1 ← log.15Feb16.rigid.poems2.g++.1}
	V			examples/rigid/{log.5Oct16.rigid.poems2.g++.4 ← log.15Feb16.rigid.poems2.g++.4}
	V			examples/rigid/{log.5Oct16.rigid.tnr.g++.1 ← log.15Feb16.rigid.tnr.g++.1}
	V			examples/rigid/{log.5Oct16.rigid.tnr.g++.4 ← log.15Feb16.rigid.tnr.g++.4}
	D			examples/shear/log.15Feb16.shear.g++.1
	D			examples/shear/log.15Feb16.shear.g++.4
	D			examples/shear/log.15Feb16.shear.void.g++.1
	D			examples/shear/log.15Feb16.shear.void.g++.4
	A			examples/shear/log.5Oct16.shear.g++.1
	A			examples/shear/log.5Oct16.shear.g++.4
	A			examples/shear/log.5Oct16.shear.void.g++.1
	A			examples/shear/log.5Oct16.shear.void.g++.4
	V			examples/snap/{log.15Feb16.snap.g++.1 → log.5Oct16.snap.g++.1}
	V			examples/snap/{log.15Feb16.snap.g++.4 → log.5Oct16.snap.g++.4}
	V			examples/snap/{log.5Oct16.snap.g++.1 ← log.15Feb16.snap.g++.1}
	V			examples/snap/{log.5Oct16.snap.g++.4 ← log.15Feb16.snap.g++.4}
	V			examples/srd/{log.15Feb16.srd.mixture.g++.1 → log.5Oct16.srd.mixture.g++.1}
	V			examples/srd/{log.15Feb16.srd.mixture.g++.4 → log.5Oct16.srd.mixture.g++.4}
	V			examples/srd/{log.15Feb16.srd.pure.g++.1 → log.5Oct16.srd.pure.g++.1}
	V			examples/srd/{log.15Feb16.srd.pure.g++.4 → log.5Oct16.srd.pure.g++.4}
	V			examples/srd/{log.5Oct16.srd.mixture.g++.1 ← log.15Feb16.srd.mixture.g++.1}
	V			examples/srd/{log.5Oct16.srd.mixture.g++.4 ← log.15Feb16.srd.mixture.g++.4}
	V			examples/srd/{log.5Oct16.srd.pure.g++.1 ← log.15Feb16.srd.pure.g++.1}
	V			examples/srd/{log.5Oct16.srd.pure.g++.4 ← log.15Feb16.srd.pure.g++.4}
	V			examples/streitz/{log.15Feb16.streitz.ewald.g++.1 → log.5Oct16.streitz.ewald.g++.1}
	V			examples/streitz/{log.15Feb16.streitz.ewald.g++.4 → log.5Oct16.streitz.ewald.g++.4}
	V			examples/streitz/{log.15Feb16.streitz.wolf.g++.1 → log.5Oct16.streitz.wolf.g++.1}
	V			examples/streitz/{log.15Feb16.streitz.wolf.g++.4 → log.5Oct16.streitz.wolf.g++.4}
	V			examples/streitz/{log.5Oct16.streitz.ewald.g++.1 ← log.15Feb16.streitz.ewald.g++.1}
	V			examples/streitz/{log.5Oct16.streitz.ewald.g++.4 ← log.15Feb16.streitz.ewald.g++.4}
	V			examples/streitz/{log.5Oct16.streitz.wolf.g++.1 ← log.15Feb16.streitz.wolf.g++.1}
	V			examples/streitz/{log.5Oct16.streitz.wolf.g++.4 ← log.15Feb16.streitz.wolf.g++.4}
	D			examples/tad/log.15Feb16.tad.g++.3
	A			examples/tad/log.5Oct16.tad.g++.3
	P			examples/vashishta/log.13Sep16.vashishta.inp.g++.1 Deleted after being copied to multiple locations: examples/vashishta/log.5Oct16.indiumphosphide.g++.1 examples/vashishta/log.5Oct16.vashishta.inp.g++.1
	V			examples/vashishta/{log.13Sep16.vashishta.inp.g++.4 → log.5Oct16.vashishta.inp.g++.4}
	P			examples/vashishta/log.13Sep16.vashishta.sio2.g++.1 Deleted after being copied to multiple locations: examples/vashishta/log.5Oct16.sio2.g++.1 examples/vashishta/log.5Oct16.vashishta.sio2.g++.1
	P			examples/vashishta/log.13Sep16.vashishta.sio2.g++.4 Deleted after being copied to multiple locations: examples/vashishta/log.5Oct16.sio2.g++.4 examples/vashishta/log.5Oct16.vashishta.sio2.g++.4
	V			examples/vashishta/{log.13Sep16.vashishta.table.inp.g++.1 → log.5Oct16.vashishta.table.inp.g++.1}
	V			examples/vashishta/{log.13Sep16.vashishta.table.inp.g++.4 → log.5Oct16.vashishta.table.inp.g++.4}
	V			examples/vashishta/{log.13Sep16.vashishta.table.sio2.g++.1 → log.5Oct16.vashishta.table.sio2.g++.1}
	V			examples/vashishta/{log.13Sep16.vashishta.table.sio2.g++.4 → log.5Oct16.vashishta.table.sio2.g++.4}
	P			examples/vashishta/log.5Oct16.indiumphosphide.g++.1 Copied from examples/vashishta/log.13Sep16.vashishta.inp.g++.1
	A			examples/vashishta/log.5Oct16.indiumphosphide.g++.4
	P			examples/vashishta/log.5Oct16.sio2.g++.1 Copied from examples/vashishta/log.13Sep16.vashishta.sio2.g++.1
	P			examples/vashishta/log.5Oct16.sio2.g++.4 Copied from examples/vashishta/log.13Sep16.vashishta.sio2.g++.4
	V			examples/vashishta/{log.5Oct16.vashishta.inp.g++.1 ← log.13Sep16.vashishta.inp.g++.1}
	V			examples/vashishta/{log.5Oct16.vashishta.inp.g++.4 ← log.13Sep16.vashishta.inp.g++.4}
	V			examples/vashishta/{log.5Oct16.vashishta.sio2.g++.1 ← log.13Sep16.vashishta.sio2.g++.1}
	V			examples/vashishta/{log.5Oct16.vashishta.sio2.g++.4 ← log.13Sep16.vashishta.sio2.g++.4}
	V			examples/vashishta/{log.5Oct16.vashishta.table.inp.g++.1 ← log.13Sep16.vashishta.table.inp.g++.1}
	V			examples/vashishta/{log.5Oct16.vashishta.table.inp.g++.4 ← log.13Sep16.vashishta.table.inp.g++.4}
	V			examples/vashishta/{log.5Oct16.vashishta.table.sio2.g++.1 ← log.13Sep16.vashishta.table.sio2.g++.1}
	V			examples/vashishta/{log.5Oct16.vashishta.table.sio2.g++.4 ← log.13Sep16.vashishta.table.sio2.g++.4}
	V			examples/voronoi/{log.15Feb16.voronoi.2d.g++.1 → log.5Oct16.voronoi.2d.g++.1}
	V			examples/voronoi/{log.15Feb16.voronoi.2d.g++.4 → log.5Oct16.voronoi.2d.g++.4}
	V			examples/voronoi/{log.15Feb16.voronoi.data.g++.1 → log.5Oct16.voronoi.data.g++.1}
	V			examples/voronoi/{log.15Feb16.voronoi.data.g++.4 → log.5Oct16.voronoi.data.g++.4}
	V			examples/voronoi/{log.15Feb16.voronoi.g++.1 → log.5Oct16.voronoi.g++.1}
	V			examples/voronoi/{log.15Feb16.voronoi.g++.4 → log.5Oct16.voronoi.g++.4}
	V			examples/voronoi/{log.5Oct16.voronoi.2d.g++.1 ← log.15Feb16.voronoi.2d.g++.1}
	V			examples/voronoi/{log.5Oct16.voronoi.2d.g++.4 ← log.15Feb16.voronoi.2d.g++.4}
	V			examples/voronoi/{log.5Oct16.voronoi.data.g++.1 ← log.15Feb16.voronoi.data.g++.1}
	V			examples/voronoi/{log.5Oct16.voronoi.data.g++.4 ← log.15Feb16.voronoi.data.g++.4}
	V			examples/voronoi/{log.5Oct16.voronoi.g++.1 ← log.15Feb16.voronoi.g++.1}
	V			examples/voronoi/{log.5Oct16.voronoi.g++.4 ← log.15Feb16.voronoi.g++.4}
	M			lib/colvars/colvarbias_abf.cpp
	M			lib/colvars/colvarbias_abf.h
	M			lib/colvars/colvarmodule.cpp
	M			lib/colvars/colvarmodule.h
	M			lib/colvars/colvarproxy.h
	M			lib/quip/Makefile.lammps
	M			src/GRANULAR/fix_wall_gran.cpp
	P			src/GRANULAR/fix_wall_gran.h Copied to src/GRANULAR/fix_wall_gran_region.h
	A			src/GRANULAR/fix_wall_gran_region.cpp
	P			src/GRANULAR/fix_wall_gran_region.h Copied from src/GRANULAR/fix_wall_gran.h
	M			src/KOKKOS/atom_kokkos.cpp
	M			src/KOKKOS/fix_deform_kokkos.cpp
	M			src/KOKKOS/fix_langevin_kokkos.cpp
	M			src/KOKKOS/fix_nh_kokkos.cpp
	M			src/KOKKOS/fix_nph_kokkos.cpp
	M			src/KOKKOS/fix_npt_kokkos.cpp
	M			src/KOKKOS/fix_nve_kokkos.cpp
	M			src/KOKKOS/fix_nvt_kokkos.cpp
	M			src/KOKKOS/fix_qeq_reax_kokkos.cpp
	M			src/KOKKOS/fix_setforce_kokkos.cpp
	M			src/KOKKOS/fix_wall_reflect_kokkos.cpp
	M			src/KOKKOS/kokkos.cpp
	M			src/KOKKOS/kokkos.h
	M			src/KOKKOS/modify_kokkos.cpp
	M			src/KOKKOS/neighbor_kokkos.cpp
	M			src/KOKKOS/pair_reax_c_kokkos.h
	M			src/KOKKOS/verlet_kokkos.cpp
	M			src/MANYBODY/pair_airebo.cpp
	M			src/MANYBODY/pair_airebo.h
	M			src/MANYBODY/pair_rebo.cpp
	M			src/USER-COLVARS/colvarproxy_lammps.cpp
	M			src/USER-COLVARS/colvarproxy_lammps.h
	M			src/USER-COLVARS/fix_colvars.cpp
	M			src/USER-DPD/atom_vec_dpd.cpp
	M			src/USER-DPD/compute_dpd_atom.cpp
	M			src/USER-DPD/pair_exp6_rx.cpp
	M			src/USER-DPD/pair_multi_lucy.cpp
	M			src/USER-DPD/pair_multi_lucy_rx.cpp
	M			src/USER-DPD/pair_table_rx.cpp
	M			src/USER-INTEL/dihedral_charmm_intel.cpp
	M			src/USER-INTEL/dihedral_harmonic_intel.cpp
	M			src/USER-INTEL/dihedral_opls_intel.cpp
	M			src/USER-INTEL/fix_npt_intel.cpp
	M			src/USER-INTEL/fix_nve_asphere_intel.cpp
	M			src/USER-INTEL/pair_buck_coul_cut_intel.cpp
	M			src/USER-INTEL/pair_buck_coul_long_intel.cpp
	M			src/USER-INTEL/pair_buck_intel.cpp
	M			src/USER-INTEL/pair_tersoff_intel.cpp
	M			src/USER-MANIFOLD/fix_manifoldforce.cpp
	M			src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
	M			src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp
	M			src/accelerator_kokkos.h
	M			src/compute_dipole_chunk.cpp
	M			src/fix.cpp
	M			src/fix.h
	M			src/region.cpp
	M			src/region.h
	M			src/region_block.cpp
	M			src/region_block.h
	M			src/region_cone.cpp
	M			src/region_cone.h
	M			src/region_cylinder.cpp
	M			src/region_cylinder.h
	M			src/region_intersect.cpp
	M			src/region_intersect.h
	M			src/region_plane.cpp
	M			src/region_prism.cpp
	M			src/region_prism.h
	M			src/region_sphere.cpp
	M			src/region_sphere.h
	M			src/region_union.cpp
	M			src/region_union.h
	M			src/special.cpp
	M			src/version.h
	M			tools/ch2lmp/README
	M			tools/ch2lmp/charmm2lammps.pl
	A		(dir)	tools/ch2lmp/example-cmap/
	A			tools/ch2lmp/example-cmap/1gb1.data
	P			tools/ch2lmp/example-cmap/1gb1.in Copied from tools/ch2lmp/example/1ac7.in
	A			tools/ch2lmp/example-cmap/1gb1.log
	A			tools/ch2lmp/example-cmap/1gb1.pdb
	A			tools/ch2lmp/example-cmap/1gb1.psf
	A			tools/ch2lmp/example-cmap/1gb1_ctrl.pdb
	A			tools/ch2lmp/example-cmap/1gb1_ctrl.psf
	A			tools/ch2lmp/example-cmap/par_all36_prot.prm
	A			tools/ch2lmp/example-cmap/top_all36_prot.rtf
	M			tools/ch2lmp/example/1ac7.data
	D			tools/ch2lmp/example/1ac7.dump
	P			tools/ch2lmp/example/1ac7.in Copied to tools/ch2lmp/example-cmap/1gb1.in
	A			tools/ch2lmp/example/1ac7.log
	M			tools/ch2lmp/example/1ac7_ctrl.pdb
	M			tools/ch2lmp/example/1ac7_ctrl.psf
	M			tools/msi2lmp/README
	M			tools/msi2lmp/src/ReadMdfFile.c
	M			tools/msi2lmp/src/SearchAndFill.c
	M			tools/msi2lmp/src/msi2lmp.c
	M			tools/msi2lmp/src/msi2lmp.h
	M			tools/msi2lmp/test/reference/PyAC_bulk-clayff.data
	M			tools/msi2lmp/test/reference/PyAC_bulk-clayff.data2

rLAMMPS13b6eb1bae6c

doc/src/JPG/gran_funnel.png

doc/src/JPG/gran_funnel_small.jpg

doc/src/JPG/gran_mixer.png

doc/src/JPG/gran_mixer_small.jpg

doc/src/Manual.txt

doc/src/Section_accelerate.txt

doc/src/Section_commands.txt

doc/src/Section_errors.txt

doc/src/Section_example.txt

doc/src/Section_history.txt

doc/src/Section_howto.txt

doc/src/Section_intro.txt

doc/src/Section_packages.txt

doc/src/Section_python.txt

doc/src/Section_start.txt

doc/src/Section_tools.txt

doc/src/accelerate_intel.txt

doc/src/accelerate_kokkos.txt

doc/src/accelerate_omp.txt

doc/src/angle_dipole.txt

doc/src/angle_fourier.txt

doc/src/angle_fourier_simple.txt

doc/src/angle_quartic.txt

doc/src/angle_sdk.txt

doc/src/atom_modify.txt

doc/src/atom_style.txt

doc/src/balance.txt

doc/src/body.txt

doc/src/change_box.txt

doc/src/comm_modify.txt

doc/src/compute_cna_atom.txt

doc/src/compute_dilatation_atom.txt

doc/src/compute_dipole_chunk.txt

doc/src/compute_dpd.txt

doc/src/compute_dpd_atom.txt

doc/src/compute_event_displace.txt

doc/src/compute_fep.txt

doc/src/compute_gyration_chunk.txt

doc/src/compute_heat_flux.txt

doc/src/compute_hexorder_atom.txt

doc/src/compute_inertia_chunk.txt

doc/src/compute_ke_atom_eff.txt

doc/src/compute_ke_eff.txt

doc/src/compute_modify.txt

doc/src/compute_msd.txt

doc/src/compute_orientorder_atom.txt

doc/src/compute_pe_atom.txt

doc/src/compute_plasticity_atom.txt

doc/src/compute_pressure.txt

doc/src/compute_property_atom.txt

doc/src/compute_property_chunk.txt

doc/src/compute_property_local.txt

doc/src/compute_reduce.txt

doc/src/compute_rigid_local.txt

doc/src/compute_saed.txt

doc/src/compute_smd_damage.txt

doc/src/compute_sna_atom.txt

doc/src/compute_stress_atom.txt

doc/src/compute_tally.txt

doc/src/compute_temp_asphere.txt

doc/src/compute_temp_body.txt

doc/src/compute_temp_cs.txt

doc/src/compute_temp_drude.txt

doc/src/compute_temp_eff.txt

doc/src/compute_temp_region.txt

doc/src/compute_temp_sphere.txt

doc/src/compute_ti.txt

doc/src/compute_voronoi_atom.txt

doc/src/compute_xrd.txt

doc/src/create_atoms.txt

doc/src/delete_bonds.txt

doc/src/dielectric.txt

doc/src/dihedral_class2.txt

doc/src/dihedral_fourier.txt

doc/src/dihedral_nharmonic.txt

doc/src/dihedral_quadratic.txt

doc/src/dihedral_spherical.txt

doc/src/dump.txt

doc/src/dump_custom_vtk.txt

doc/src/dump_image.txt

doc/src/dump_modify.txt

doc/src/fix_atc.txt

doc/src/fix_atom_swap.txt

doc/src/fix_ave_atom.txt

doc/src/fix_ave_chunk.txt

doc/src/fix_ave_correlate.txt

doc/src/fix_ave_correlate_long.txt

doc/src/fix_ave_histo.txt

doc/src/fix_ave_time.txt

doc/src/fix_balance.txt

doc/src/fix_bond_break.txt

doc/src/fix_bond_create.txt

doc/src/fix_bond_swap.txt

doc/src/fix_box_relax.txt

doc/src/fix_controller.txt

doc/src/fix_deform.txt

doc/src/fix_drag.txt

doc/src/fix_drude_transform.txt

doc/src/fix_efield.txt

doc/src/fix_ehex.txt

doc/src/fix_eos_cv.txt

doc/src/fix_eos_table.txt

doc/src/fix_eos_table_rx.txt

doc/src/fix_external.txt

doc/src/fix_flow_gauss.txt

doc/src/fix_gcmc.txt

doc/src/fix_gld.txt

doc/src/fix_gle.txt

doc/src/fix_gravity.txt

doc/src/fix_heat.txt

doc/src/fix_imd.txt

doc/src/fix_ipi.txt

doc/src/fix_langevin.txt

doc/src/fix_langevin_drude.txt

doc/src/fix_langevin_eff.txt

doc/src/fix_lb_fluid.txt

doc/src/fix_lb_momentum.txt

doc/src/fix_lb_pc.txt

doc/src/fix_lb_rigid_pc_sphere.txt

doc/src/fix_lb_viscous.txt

doc/src/fix_lineforce.txt

doc/src/fix_move.txt

doc/src/fix_msst.txt

doc/src/fix_neb.txt

doc/src/fix_nh.txt

doc/src/fix_nph_asphere.txt

doc/src/fix_nph_body.txt

doc/src/fix_nph_sphere.txt

doc/src/fix_nphug.txt

doc/src/fix_npt_asphere.txt

doc/src/fix_npt_body.txt

doc/src/fix_npt_sphere.txt

doc/src/fix_nve_asphere.txt

doc/src/fix_nve_asphere_noforce.txt

doc/src/fix_nve_body.txt

doc/src/fix_nve_line.txt

doc/src/fix_nve_manifold_rattle.txt

doc/src/fix_nve_sphere.txt

doc/src/fix_nve_tri.txt

doc/src/fix_nvt_asphere.txt

doc/src/fix_nvt_body.txt

doc/src/fix_nvt_sllod.txt

doc/src/fix_nvt_sllod_eff.txt

doc/src/fix_nvt_sphere.txt

doc/src/fix_orient.txt

doc/src/fix_phonon.txt

doc/src/fix_pimd.txt

doc/src/fix_pour.txt

doc/src/fix_qbmsst.txt

doc/src/fix_qeq.txt

doc/src/fix_qeq_comb.txt

doc/src/fix_qeq_reax.txt

doc/src/fix_qmmm.txt

doc/src/fix_qtb.txt

doc/src/fix_reaxc_species.txt

doc/src/fix_rigid.txt

doc/src/fix_rx.txt

doc/src/fix_saed_vtk.txt

doc/src/fix_shake.txt

doc/src/fix_shardlow.txt

doc/src/fix_smd.txt

doc/src/fix_smd_adjust_dt.txt

doc/src/fix_smd_integrate_tlsph.txt

doc/src/fix_smd_integrate_ulsph.txt

doc/src/fix_smd_move_triangulated_surface.txt

doc/src/fix_smd_setvel.txt

doc/src/fix_smd_wall_surface.txt

doc/src/fix_spring.txt

doc/src/fix_spring_chunk.txt

doc/src/fix_spring_self.txt

doc/src/fix_store_state.txt

doc/src/fix_temp_rescale_eff.txt

doc/src/fix_tfmc.txt

doc/src/fix_thermal_conductivity.txt

doc/src/fix_ti_spring.txt

doc/src/fix_ttm.txt

doc/src/fix_tune_kspace.txt

doc/src/fix_viscosity.txt

doc/src/fix_viscous.txt

doc/src/fix_wall_gran.txt

doc/src/fix_wall_gran_region.txt

doc/src/fix_wall_piston.txt

doc/src/fix_wall_reflect.txt

doc/src/fix_wall_region.txt

doc/src/group.txt

doc/src/group2ndx.txt

doc/src/if.txt

doc/src/improper_cossq.txt

doc/src/improper_fourier.txt

doc/src/jump.txt

doc/src/kspace_modify.txt

doc/src/kspace_style.txt

doc/src/lattice.txt

doc/src/min_modify.txt

doc/src/min_style.txt

doc/src/minimize.txt

doc/src/molecule.txt

doc/src/neb.txt

doc/src/next.txt

doc/src/package.txt

doc/src/pair_beck.txt

doc/src/pair_bop.txt

doc/src/pair_comb.txt

doc/src/pair_coul.txt

doc/src/pair_coul_diel.txt

doc/src/pair_cs.txt

doc/src/pair_dipole.txt

doc/src/pair_dsmc.txt

doc/src/pair_eam.txt

doc/src/pair_edip.txt

doc/src/pair_eff.txt

doc/src/pair_exp6_rx.txt

doc/src/pair_gauss.txt

doc/src/pair_gayberne.txt

doc/src/pair_gromacs.txt

doc/src/pair_hbond_dreiding.txt

doc/src/pair_hybrid.txt

doc/src/pair_line_lj.txt

doc/src/pair_list.txt

doc/src/pair_lj.txt

doc/src/pair_lj_cubic.txt

doc/src/pair_lj_smooth.txt

doc/src/pair_lj_smooth_linear.txt

doc/src/pair_lubricateU.txt

doc/src/pair_meam.txt

doc/src/pair_meam_sw_spline.txt

doc/src/pair_mgpt.txt

doc/src/pair_mie.txt

doc/src/pair_morse.txt

doc/src/pair_multi_lucy.txt

doc/src/pair_multi_lucy_rx.txt

doc/src/pair_nb3b_harmonic.txt

doc/src/pair_nm.txt

doc/src/pair_peri.txt

doc/src/pair_polymorphic.txt

doc/src/pair_quip.txt

doc/src/pair_reax.txt

doc/src/pair_reax_c.txt

doc/src/pair_resquared.txt

doc/src/pair_sdk.txt

doc/src/pair_smd_hertz.txt

doc/src/pair_smd_triangulated_surface.txt

doc/src/pair_smtbq.txt

doc/src/pair_snap.txt

doc/src/pair_srp.txt

doc/src/pair_style.txt

doc/src/pair_sw.txt

doc/src/pair_table_rx.txt

doc/src/pair_tersoff.txt

doc/src/pair_tersoff_mod.txt

doc/src/pair_tersoff_zbl.txt

doc/src/pair_thole.txt

doc/src/pair_vashishta.txt

doc/src/pair_zbl.txt

doc/src/prd.txt

doc/src/print.txt

doc/src/processors.txt

doc/src/python.txt

doc/src/read_dump.txt

doc/src/region.txt

doc/src/replicate.txt

doc/src/restart.txt

doc/src/run.txt

doc/src/run_style.txt

doc/src/set.txt

doc/src/special_bonds.txt

doc/src/suffix.txt

doc/src/tad.txt

doc/src/temper.txt

doc/src/thermo.txt

doc/src/thermo_style.txt

doc/src/timer.txt

doc/src/timestep.txt

doc/src/tutorial_drude.txt

doc/src/units.txt

doc/src/variable.txt

doc/src/velocity.txt

doc/src/write_coeff.txt

doc/src/write_dump.txt

examples/README

examples/USER/quip/in.gap

examples/USER/quip/in.sw

examples/balance/log.27Sep16.balance.bond.fast.g++.4

examples/balance/log.27Sep16.balance.bond.slow.g++.4

examples/balance/log.27Sep16.balance.clock.dynamic.g++.4

examples/balance/log.27Sep16.balance.clock.static.g++.4

examples/balance/log.27Sep16.balance.g++.4

examples/balance/log.27Sep16.balance.group.dynamic.g++.4

examples/balance/log.27Sep16.balance.group.static.g++.4

examples/balance/log.27Sep16.balance.kspace.g++.4

examples/balance/log.27Sep16.balance.neigh.dynamic.g++.4

examples/balance/log.27Sep16.balance.neigh.rcb.g++.4

examples/balance/log.27Sep16.balance.neigh.static.g++.4

examples/balance/log.27Sep16.balance.var.dynamic.g++.2

examples/balance/log.5Oct16.balance.bond.fast.g++.4

examples/balance/log.5Oct16.balance.bond.slow.g++.4

examples/balance/log.5Oct16.balance.clock.dynamic.g++.4

examples/balance/log.5Oct16.balance.clock.static.g++.4

examples/balance/log.5Oct16.balance.g++.4

examples/balance/log.5Oct16.balance.group.dynamic.g++.4

examples/balance/log.5Oct16.balance.group.static.g++.4

examples/balance/log.5Oct16.balance.kspace.g++.4

examples/balance/log.5Oct16.balance.neigh.dynamic.g++.4

examples/balance/log.5Oct16.balance.neigh.rcb.g++.4

examples/balance/log.5Oct16.balance.neigh.static.g++.4

examples/balance/log.5Oct16.balance.var.dynamic.g++.2

examples/body/log.15Feb16.body.g++.1

examples/body/log.15Feb16.body.g++.4

examples/body/log.5Oct16.body.g++.1

examples/body/log.5Oct16.body.g++.4

examples/cmap/log.23Sep16.cmap.g++.1

examples/cmap/log.23Sep16.cmap.g++.4

examples/cmap/log.5Oct16.cmap.g++.1

examples/cmap/log.5Oct16.cmap.g++.4

examples/colloid/log.15Feb16.colloid.g++.1

examples/colloid/log.15Feb16.colloid.g++.4

examples/colloid/log.5Oct16.colloid.g++.1

examples/colloid/log.5Oct16.colloid.g++.4

examples/comb/log.15Feb16.comb.Cu.g++.1

examples/comb/log.15Feb16.comb.Cu.g++.4

examples/comb/log.15Feb16.comb.Cu2O.elastic.g++.1

examples/comb/log.15Feb16.comb.Cu2O.elastic.g++.4

examples/comb/log.15Feb16.comb.HfO2.g++.1

examples/comb/log.15Feb16.comb.HfO2.g++.4

examples/comb/log.15Feb16.comb.Si.elastic.g++.1

examples/comb/log.15Feb16.comb.Si.elastic.g++.4

examples/comb/log.15Feb16.comb.Si.g++.1

examples/comb/log.15Feb16.comb.Si.g++.4

examples/comb/log.15Feb16.comb3.g++.1

examples/comb/log.15Feb16.comb3.g++.4

examples/comb/log.5Oct16.comb.Cu.g++.1

examples/comb/log.5Oct16.comb.Cu.g++.4

examples/comb/log.5Oct16.comb.Cu2O.elastic.g++.1

examples/comb/log.5Oct16.comb.Cu2O.elastic.g++.4

examples/comb/log.5Oct16.comb.HfO2.g++.1

examples/comb/log.5Oct16.comb.HfO2.g++.4

examples/comb/log.5Oct16.comb.Si.elastic.g++.1

examples/comb/log.5Oct16.comb.Si.elastic.g++.4

examples/comb/log.5Oct16.comb.Si.g++.1

examples/comb/log.5Oct16.comb.Si.g++.4

examples/comb/log.5Oct16.comb3.g++.1

examples/comb/log.5Oct16.comb3.g++.4

examples/controller/log.5Aug16.controller.g++.1

examples/controller/log.5Aug16.controller.g++.4

examples/controller/log.5Oct16.controller.g++.1

examples/controller/log.5Oct16.controller.g++.4

examples/coreshell/log.5Oct16.coreshell.g++.1

examples/coreshell/log.5Oct16.coreshell.g++.4

examples/coreshell/log.coreshell.6Mar15.linux.1

examples/coreshell/log.coreshell.6Mar15.linux.4

examples/crack/log.15Feb16.crack.g++.1

examples/crack/log.15Feb16.crack.g++.4

examples/crack/log.5Oct16.crack.g++.1

examples/crack/log.5Oct16.crack.g++.4

examples/deposit/log.15Feb16.deposit.atom.g++.1

examples/deposit/log.15Feb16.deposit.atom.g++.4

examples/deposit/log.15Feb16.deposit.molecule.g++.1

examples/deposit/log.15Feb16.deposit.molecule.g++.4

examples/deposit/log.15Feb16.deposit.molecule.shake.g++.1

examples/deposit/log.15Feb16.deposit.molecule.shake.g++.4

examples/deposit/log.5Oct16.deposit.atom.g++.1

examples/deposit/log.5Oct16.deposit.atom.g++.4

examples/deposit/log.5Oct16.deposit.molecule.g++.1

examples/deposit/log.5Oct16.deposit.molecule.g++.4

examples/deposit/log.5Oct16.deposit.molecule.shake.g++.1

examples/deposit/log.5Oct16.deposit.molecule.shake.g++.4

examples/dipole/log.15Feb16.dipole.g++.1

examples/dipole/log.15Feb16.dipole.g++.4

examples/dipole/log.5Oct16.dipole.g++.1

examples/dipole/log.5Oct16.dipole.g++.4

examples/dreiding/log.15Feb16.dreiding.g++.1

examples/dreiding/log.15Feb16.dreiding.g++.4

examples/dreiding/log.5Oct16.dreiding.g++.1

examples/dreiding/log.5Oct16.dreiding.g++.4

examples/eim/log.15Feb16.eim.g++.1

examples/eim/log.15Feb16.eim.g++.4

examples/eim/log.5Oct16.eim.g++.1

examples/eim/log.5Oct16.eim.g++.4

examples/ellipse/log.15Feb16.ellipse.gayberne.g++.1

examples/ellipse/log.15Feb16.ellipse.gayberne.g++.4

examples/ellipse/log.15Feb16.ellipse.resquared.g++.1

examples/ellipse/log.15Feb16.ellipse.resquared.g++.4

examples/ellipse/log.5Oct16.ellipse.gayberne.g++.1

examples/ellipse/log.5Oct16.ellipse.gayberne.g++.4

examples/ellipse/log.5Oct16.ellipse.resquared.g++.1

examples/ellipse/log.5Oct16.ellipse.resquared.g++.4

examples/flow/log.15Feb16.flow.couette.g++.1

examples/flow/log.15Feb16.flow.couette.g++.4

examples/flow/log.15Feb16.flow.pois.g++.1

examples/flow/log.15Feb16.flow.pois.g++.4

examples/flow/log.5Oct16.flow.couette.g++.1

examples/flow/log.5Oct16.flow.couette.g++.4

examples/flow/log.5Oct16.flow.pois.g++.1

examples/flow/log.5Oct16.flow.pois.g++.4

examples/friction/log.15Feb16.friction.g++.1

examples/friction/log.15Feb16.friction.g++.4

examples/friction/log.5Oct16.friction.g++.1

examples/friction/log.5Oct16.friction.g++.4

examples/granregion/in.granregion.box

examples/granregion/in.granregion.funnel

examples/granregion/in.granregion.mixer

examples/granregion/log.6Oct16.granregion.box.g++.1

examples/granregion/log.6Oct16.granregion.box.g++.4

examples/granregion/log.6Oct16.granregion.funnel.g++.1

examples/granregion/log.6Oct16.granregion.funnel.g++.4

examples/granregion/log.6Oct16.granregion.mixer.g++.1

examples/granregion/log.6Oct16.granregion.mixer.g++.4

examples/hugoniostat/log.15Feb16.hugoniostat.g++.1

examples/hugoniostat/log.15Feb16.hugoniostat.g++.4

examples/hugoniostat/log.5Oct16.hugoniostat.g++.1

examples/hugoniostat/log.5Oct16.hugoniostat.g++.4

examples/indent/log.15Feb16.indent.g++.1

examples/indent/log.15Feb16.indent.g++.4

examples/indent/log.15Feb16.indent.min.g++.1

examples/indent/log.15Feb16.indent.min.g++.4

examples/indent/log.5Oct16.indent.g++.1

examples/indent/log.5Oct16.indent.g++.4

examples/indent/log.5Oct16.indent.min.g++.1

examples/indent/log.5Oct16.indent.min.g++.4

examples/kim/log.28Jun15.kim.lj.lmp.ubuntu.1

examples/kim/log.28Jun15.kim.lj.lmp.ubuntu.4

examples/kim/log.28Jun15.kim.lj.ubuntu.1

examples/kim/log.28Jun15.kim.lj.ubuntu.4

examples/kim/log.kim.lj.28Jun15.ubuntu.1

examples/kim/log.kim.lj.28Jun15.ubuntu.4

examples/kim/log.kim.lj.lmp.28Jun15.ubuntu.1

examples/kim/log.kim.lj.lmp.28Jun15.ubuntu.4

examples/meam/log.15Feb16.meam.icc.1

examples/meam/log.15Feb16.meam.icc.4

examples/meam/log.15Feb16.meam.shear.icc.1

examples/meam/log.15Feb16.meam.shear.icc.4

examples/meam/log.5Oct16.meam.icc.1

examples/meam/log.5Oct16.meam.icc.4

examples/meam/log.5Oct16.meam.shear.icc.1

examples/meam/log.5Oct16.meam.shear.icc.4

examples/melt/log.15Feb16.melt.g++.1

examples/melt/log.15Feb16.melt.g++.4

examples/melt/log.5Oct16.melt.g++.1

examples/melt/log.5Oct16.melt.g++.4

examples/micelle/log.15Feb16.micelle.g++.1

examples/micelle/log.15Feb16.micelle.g++.4

examples/micelle/log.5Oct16.micelle.g++.1

examples/micelle/log.5Oct16.micelle.g++.4

examples/min/log.15Feb16.min.box.g++.1

examples/min/log.15Feb16.min.box.g++.4

examples/min/log.15Feb16.min.g++.1

examples/min/log.15Feb16.min.g++.4

examples/min/log.5Oct16.min.box.g++.1

examples/min/log.5Oct16.min.box.g++.4

examples/min/log.5Oct16.min.g++.1

examples/min/log.5Oct16.min.g++.4

examples/msst/log.15Feb16.msst.g++.1

examples/msst/log.15Feb16.msst.g++.4

examples/msst/log.5Oct16.msst.g++.1

examples/msst/log.5Oct16.msst.g++.4

examples/nb3b/log.15Feb16.nb3b.g++.1

examples/nb3b/log.15Feb16.nb3b.g++.4

examples/nb3b/log.5Oct16.nb3b.g++.1

examples/nb3b/log.5Oct16.nb3b.g++.4

examples/neb/log.28Sep16.neb.hop1.g++.4

examples/neb/log.28Sep16.neb.hop1.g++.8

examples/neb/log.28Sep16.neb.hop2.g++.4

examples/neb/log.28Sep16.neb.hop2.g++.8

examples/neb/log.28Sep16.neb.sivac.g++.3

examples/neb/log.28Sep16.neb.sivac.g++.6

examples/neb/log.28Sep16.neb.sivac.g++.9

examples/neb/log.5Oct16.neb.hop1.g++.4

examples/neb/log.5Oct16.neb.hop1.g++.8

examples/neb/log.5Oct16.neb.hop2.g++.4

examples/neb/log.5Oct16.neb.hop2.g++.8

examples/neb/log.5Oct16.neb.sivac.g++.3

examples/neb/log.5Oct16.neb.sivac.g++.6

examples/neb/log.5Oct16.neb.sivac.g++.9

examples/nemd/log.15Feb16.nemd.g++.1

examples/nemd/log.15Feb16.nemd.g++.4

examples/nemd/log.5Oct16.nemd.g++.1

examples/nemd/log.5Oct16.nemd.g++.4

examples/obstacle/log.15Feb16.obstacle.g++.1

examples/obstacle/log.15Feb16.obstacle.g++.4

examples/obstacle/log.5Oct16.obstacle.g++.1

examples/obstacle/log.5Oct16.obstacle.g++.4

examples/peptide/log.15Feb16.peptide.g++.1

examples/peptide/log.15Feb16.peptide.g++.4

examples/peptide/log.5Oct16.peptide.g++.1

examples/peptide/log.5Oct16.peptide.g++.4

examples/peri/log.15Feb16.peri.g++.1

examples/peri/log.15Feb16.peri.g++.4

examples/peri/log.5Oct16.peri.g++.1

examples/peri/log.5Oct16.peri.g++.4

examples/pour/log.15Feb16.pour.2d.g++.1

examples/pour/log.15Feb16.pour.2d.g++.4

examples/pour/log.15Feb16.pour.2d.molecule.g++.1

examples/pour/log.15Feb16.pour.2d.molecule.g++.4

examples/pour/log.15Feb16.pour.g++.1

examples/pour/log.15Feb16.pour.g++.4

examples/pour/log.5Oct16.pour.2d.g++.1

examples/pour/log.5Oct16.pour.2d.g++.4

examples/pour/log.5Oct16.pour.2d.molecule.g++.1

examples/pour/log.5Oct16.pour.2d.molecule.g++.4

examples/pour/log.5Oct16.pour.g++.1

examples/pour/log.5Oct16.pour.g++.4

examples/prd/log.29Sep16.prd.g++.4

examples/prd/log.29Sep16.prd.g++.8

examples/prd/log.5Oct16.prd.g++.4

examples/prd/log.5Oct16.prd.g++.8

examples/prd/screen.29Sep16.prd.g++.4.0

examples/prd/screen.29Sep16.prd.g++.4.1

examples/prd/screen.29Sep16.prd.g++.4.2

examples/prd/screen.29Sep16.prd.g++.4.3

examples/prd/screen.29Sep16.prd.g++.8.0

examples/prd/screen.29Sep16.prd.g++.8.1

examples/prd/screen.29Sep16.prd.g++.8.2

examples/prd/screen.29Sep16.prd.g++.8.3

examples/prd/screen.5Oct16.prd.g++.4.0

examples/prd/screen.5Oct16.prd.g++.4.1

examples/prd/screen.5Oct16.prd.g++.4.2

examples/prd/screen.5Oct16.prd.g++.4.3

examples/prd/screen.5Oct16.prd.g++.8.0

examples/prd/screen.5Oct16.prd.g++.8.1

examples/prd/screen.5Oct16.prd.g++.8.2

examples/prd/screen.5Oct16.prd.g++.8.3

examples/python/log.5Oct16.python.g++.1

examples/python/log.5Oct16.python.g++.4

examples/python/log.python.17Mar15.linux.1

examples/python/log.python.17Mar15.linux.4

examples/qeq/log.15Feb16.qeq.buck.g++.1

examples/qeq/log.15Feb16.qeq.buck.g++.4

examples/qeq/log.15Feb16.qeq.reaxc.g++.1

examples/qeq/log.15Feb16.qeq.reaxc.g++.4

examples/qeq/log.5Oct16.qeq.buck.g++.1

examples/qeq/log.5Oct16.qeq.buck.g++.4

examples/qeq/log.5Oct16.qeq.reaxc.g++.1

examples/qeq/log.5Oct16.qeq.reaxc.g++.4

examples/reax/AB/log.15Feb16.AB.g++.1

examples/reax/AB/log.15Feb16.AB.g++.4

examples/reax/AB/log.5Oct16.AB.g++.1

examples/reax/AB/log.5Oct16.AB.g++.4

examples/reax/AB/log.cite

examples/reax/AB/log.lammps

examples/reax/AuO/log.15Feb16.AuO.g++.1

examples/reax/AuO/log.15Feb16.AuO.g++.4

examples/reax/AuO/log.5Oct16.AuO.g++.1

examples/reax/AuO/log.5Oct16.AuO.g++.4

examples/reax/CHO/log.15Feb16.CHO.g++.1

examples/reax/CHO/log.15Feb16.CHO.g++.4

examples/reax/CHO/log.5Oct16.CHO.g++.1

examples/reax/CHO/log.5Oct16.CHO.g++.4

examples/reax/FC/log.15Feb16.FC.g++.1

examples/reax/FC/log.15Feb16.FC.g++.4

examples/reax/FC/log.5Oct16.FC.g++.1

examples/reax/FC/log.5Oct16.FC.g++.4

examples/reax/FeOH3/log.15Feb16.FeOH3.g++.1

examples/reax/FeOH3/log.15Feb16.FeOH3.g++.4

examples/reax/FeOH3/log.5Oct16.FeOH3.g++.1

examples/reax/FeOH3/log.5Oct16.FeOH3.g++.4

examples/reax/RDX/log.15Feb16.RDX.g++.1

examples/reax/RDX/log.15Feb16.RDX.g++.4

examples/reax/RDX/log.5Oct16.RDX.g++.1

examples/reax/RDX/log.5Oct16.RDX.g++.4

examples/reax/VOH/log.15Feb16.VOH.g++.1

examples/reax/VOH/log.15Feb16.VOH.g++.4

examples/reax/VOH/log.5Oct16.VOH.g++.1

examples/reax/VOH/log.5Oct16.VOH.g++.4

examples/reax/ZnOH2/log.15Feb16.ZnOH2.g++.1

examples/reax/ZnOH2/log.15Feb16.ZnOH2.g++.4

examples/reax/ZnOH2/log.5Oct16.ZnOH2.g++.1

examples/reax/ZnOH2/log.5Oct16.ZnOH2.g++.4

examples/reax/log.15Feb16.reax.rdx.g++.1

examples/reax/log.15Feb16.reax.rdx.g++.4

examples/reax/log.15Feb16.reax.tatb.g++.1

examples/reax/log.15Feb16.reax.tatb.g++.4

examples/reax/log.15Feb16.reaxc.rdx.g++.1

examples/reax/log.15Feb16.reaxc.rdx.g++.4

examples/reax/log.15Feb16.reaxc.tatb.g++.1

examples/reax/log.15Feb16.reaxc.tatb.g++.4

examples/reax/log.5Oct16.reax.rdx.g++.1

examples/reax/log.5Oct16.reax.rdx.g++.4

examples/reax/log.5Oct16.reax.tatb.g++.1

examples/reax/log.5Oct16.reax.tatb.g++.4

examples/reax/log.5Oct16.reaxc.rdx.g++.1

examples/reax/log.5Oct16.reaxc.rdx.g++.4

examples/reax/log.5Oct16.reaxc.tatb.g++.1

examples/reax/log.5Oct16.reaxc.tatb.g++.4

examples/rigid/log.15Feb16.rigid.g++.1

examples/rigid/log.15Feb16.rigid.g++.4

examples/rigid/log.15Feb16.rigid.poems.g++.1

examples/rigid/log.15Feb16.rigid.poems.g++.4

examples/rigid/log.15Feb16.rigid.poems2.g++.1

examples/rigid/log.15Feb16.rigid.poems2.g++.4

examples/rigid/log.15Feb16.rigid.tnr.g++.1

examples/rigid/log.15Feb16.rigid.tnr.g++.4

examples/rigid/log.5Oct16.rigid.g++.1

examples/rigid/log.5Oct16.rigid.g++.4

examples/rigid/log.5Oct16.rigid.poems.g++.1

examples/rigid/log.5Oct16.rigid.poems.g++.4

examples/rigid/log.5Oct16.rigid.poems2.g++.1

examples/rigid/log.5Oct16.rigid.poems2.g++.4

examples/rigid/log.5Oct16.rigid.tnr.g++.1

examples/rigid/log.5Oct16.rigid.tnr.g++.4

examples/shear/log.15Feb16.shear.g++.1

examples/shear/log.15Feb16.shear.g++.4

examples/shear/log.15Feb16.shear.void.g++.1

examples/shear/log.15Feb16.shear.void.g++.4

examples/shear/log.5Oct16.shear.g++.1

examples/shear/log.5Oct16.shear.g++.4

examples/shear/log.5Oct16.shear.void.g++.1

examples/shear/log.5Oct16.shear.void.g++.4

examples/snap/log.15Feb16.snap.g++.1

examples/snap/log.15Feb16.snap.g++.4

examples/snap/log.5Oct16.snap.g++.1

examples/snap/log.5Oct16.snap.g++.4

examples/srd/log.15Feb16.srd.mixture.g++.1

examples/srd/log.15Feb16.srd.mixture.g++.4

examples/srd/log.15Feb16.srd.pure.g++.1

examples/srd/log.15Feb16.srd.pure.g++.4

examples/srd/log.5Oct16.srd.mixture.g++.1

examples/srd/log.5Oct16.srd.mixture.g++.4

examples/srd/log.5Oct16.srd.pure.g++.1

examples/srd/log.5Oct16.srd.pure.g++.4

examples/streitz/log.15Feb16.streitz.ewald.g++.1

examples/streitz/log.15Feb16.streitz.ewald.g++.4

examples/streitz/log.15Feb16.streitz.wolf.g++.1

examples/streitz/log.15Feb16.streitz.wolf.g++.4

examples/streitz/log.5Oct16.streitz.ewald.g++.1

examples/streitz/log.5Oct16.streitz.ewald.g++.4

examples/streitz/log.5Oct16.streitz.wolf.g++.1

examples/streitz/log.5Oct16.streitz.wolf.g++.4

examples/tad/log.15Feb16.tad.g++.3

examples/tad/log.5Oct16.tad.g++.3

examples/vashishta/log.13Sep16.vashishta.inp.g++.1

examples/vashishta/log.13Sep16.vashishta.inp.g++.4

examples/vashishta/log.13Sep16.vashishta.sio2.g++.1

examples/vashishta/log.13Sep16.vashishta.sio2.g++.4

examples/vashishta/log.13Sep16.vashishta.table.inp.g++.1

examples/vashishta/log.13Sep16.vashishta.table.inp.g++.4

examples/vashishta/log.13Sep16.vashishta.table.sio2.g++.1

examples/vashishta/log.13Sep16.vashishta.table.sio2.g++.4

examples/vashishta/log.5Oct16.indiumphosphide.g++.1

examples/vashishta/log.5Oct16.indiumphosphide.g++.4

examples/vashishta/log.5Oct16.sio2.g++.1

examples/vashishta/log.5Oct16.sio2.g++.4

examples/vashishta/log.5Oct16.vashishta.inp.g++.1

examples/vashishta/log.5Oct16.vashishta.inp.g++.4

examples/vashishta/log.5Oct16.vashishta.sio2.g++.1

examples/vashishta/log.5Oct16.vashishta.sio2.g++.4

examples/vashishta/log.5Oct16.vashishta.table.inp.g++.1

examples/vashishta/log.5Oct16.vashishta.table.inp.g++.4

examples/vashishta/log.5Oct16.vashishta.table.sio2.g++.1

examples/vashishta/log.5Oct16.vashishta.table.sio2.g++.4

examples/voronoi/log.15Feb16.voronoi.2d.g++.1

examples/voronoi/log.15Feb16.voronoi.2d.g++.4

examples/voronoi/log.15Feb16.voronoi.data.g++.1

examples/voronoi/log.15Feb16.voronoi.data.g++.4

examples/voronoi/log.15Feb16.voronoi.g++.1

examples/voronoi/log.15Feb16.voronoi.g++.4

examples/voronoi/log.5Oct16.voronoi.2d.g++.1

examples/voronoi/log.5Oct16.voronoi.2d.g++.4

examples/voronoi/log.5Oct16.voronoi.data.g++.1

examples/voronoi/log.5Oct16.voronoi.data.g++.4

examples/voronoi/log.5Oct16.voronoi.g++.1

examples/voronoi/log.5Oct16.voronoi.g++.4

lib/colvars/colvarbias_abf.cpp

lib/colvars/colvarbias_abf.h

lib/colvars/colvarmodule.cpp

lib/colvars/colvarmodule.h

lib/colvars/colvarproxy.h

lib/quip/Makefile.lammps

src/GRANULAR/fix_wall_gran.cpp

src/GRANULAR/fix_wall_gran.h

src/GRANULAR/fix_wall_gran_region.cpp

src/GRANULAR/fix_wall_gran_region.h

src/KOKKOS/atom_kokkos.cpp

src/KOKKOS/fix_deform_kokkos.cpp

src/KOKKOS/fix_langevin_kokkos.cpp

src/KOKKOS/fix_nh_kokkos.cpp

src/KOKKOS/fix_nph_kokkos.cpp

src/KOKKOS/fix_npt_kokkos.cpp

src/KOKKOS/fix_nve_kokkos.cpp

src/KOKKOS/fix_nvt_kokkos.cpp

src/KOKKOS/fix_qeq_reax_kokkos.cpp

src/KOKKOS/fix_setforce_kokkos.cpp

src/KOKKOS/fix_wall_reflect_kokkos.cpp

src/KOKKOS/kokkos.cpp

src/KOKKOS/kokkos.h

src/KOKKOS/modify_kokkos.cpp

src/KOKKOS/neighbor_kokkos.cpp

src/KOKKOS/pair_reax_c_kokkos.h

src/KOKKOS/verlet_kokkos.cpp

src/MANYBODY/pair_airebo.cpp

src/MANYBODY/pair_airebo.h

src/MANYBODY/pair_rebo.cpp

src/USER-COLVARS/colvarproxy_lammps.cpp

src/USER-COLVARS/colvarproxy_lammps.h

src/USER-COLVARS/fix_colvars.cpp

src/USER-DPD/atom_vec_dpd.cpp

src/USER-DPD/compute_dpd_atom.cpp

src/USER-DPD/pair_exp6_rx.cpp

src/USER-DPD/pair_multi_lucy.cpp

src/USER-DPD/pair_multi_lucy_rx.cpp

src/USER-DPD/pair_table_rx.cpp

src/USER-INTEL/dihedral_charmm_intel.cpp

src/USER-INTEL/dihedral_harmonic_intel.cpp

src/USER-INTEL/dihedral_opls_intel.cpp

src/USER-INTEL/fix_npt_intel.cpp

src/USER-INTEL/fix_nve_asphere_intel.cpp

src/USER-INTEL/pair_buck_coul_cut_intel.cpp

src/USER-INTEL/pair_buck_coul_long_intel.cpp

src/USER-INTEL/pair_buck_intel.cpp

src/USER-INTEL/pair_tersoff_intel.cpp

src/USER-MANIFOLD/fix_manifoldforce.cpp

src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp

src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp

src/accelerator_kokkos.h

src/compute_dipole_chunk.cpp

src/fix.cpp

src/fix.h

src/region.cpp

src/region.h

src/region_block.cpp

src/region_block.h

src/region_cone.cpp

src/region_cone.h

src/region_cylinder.cpp

src/region_cylinder.h

src/region_intersect.cpp

src/region_intersect.h

src/region_plane.cpp

src/region_prism.cpp

src/region_prism.h

src/region_sphere.cpp

src/region_sphere.h

src/region_union.cpp

src/region_union.h

src/special.cpp

src/version.h

tools/ch2lmp/README

tools/ch2lmp/charmm2lammps.pl

tools/ch2lmp/example-cmap/1gb1.data

tools/ch2lmp/example-cmap/1gb1.in

tools/ch2lmp/example-cmap/1gb1.log

tools/ch2lmp/example-cmap/1gb1.pdb

tools/ch2lmp/example-cmap/1gb1.psf

tools/ch2lmp/example-cmap/1gb1_ctrl.pdb

tools/ch2lmp/example-cmap/1gb1_ctrl.psf

tools/ch2lmp/example-cmap/par_all36_prot.prm

tools/ch2lmp/example-cmap/top_all36_prot.rtf

tools/ch2lmp/example/1ac7.data

tools/ch2lmp/example/1ac7.dump

tools/ch2lmp/example/1ac7.in

tools/ch2lmp/example/1ac7.log

tools/ch2lmp/example/1ac7_ctrl.pdb

tools/ch2lmp/example/1ac7_ctrl.psf

tools/msi2lmp/README

tools/msi2lmp/src/ReadMdfFile.c

tools/msi2lmp/src/SearchAndFill.c

tools/msi2lmp/src/msi2lmp.c

tools/msi2lmp/src/msi2lmp.h

tools/msi2lmp/test/reference/PyAC_bulk-clayff.data

tools/msi2lmp/test/reference/PyAC_bulk-clayff.data2