Merge branch 'ak-fix' into openmp-step2
78b0055319f2
Actions

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Sep 24 2011, 19:55.

Description

Merge branch 'ak-fix' into openmp-step2

Resolved Conflicts:
src/COLLOID/pair_colloid.cpp
src/pair_table.cpp

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Sep 24 2011, 19:55

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPSc18174c0ece0: Merge branch 'master' into ak-fix
rLAMMPS306706e8777e: added OpenMP variant of peridynamics pair styles

Branches

Unknown

Tags

Unknown

Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS78b0055319f2: Merge branch 'ak-fix' into openmp-step2 (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Sep 24 2011, 19:55

Merged Changes

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

Commit	Author	Details	Committed
c18174c0ece0	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Sep 24 2011
11a5c28c9c7e	Axel Kohlmeyer	fix memory allocation bug.	Sep 24 2011
afc72c791349	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7012 f3b2605a-c512-4ea7…	Sep 24 2011
9c1ec9764e92	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7011 f3b2605a-c512-4ea7…	Sep 24 2011
b942af38b223	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7010 f3b2605a-c512-4ea7…	Sep 24 2011
6b73c2cdf802	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7009 f3b2605a-c512-4ea7…	Sep 23 2011
c0a3d0aa9a8f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7008 f3b2605a-c512-4ea7…	Sep 23 2011
7873e97fc350	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7006 f3b2605a-c512-4ea7…	Sep 23 2011
e6fac7cd8a7b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7005 f3b2605a-c512-4ea7…	Sep 23 2011
d296662af68c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7004 f3b2605a-c512-4ea7…	Sep 23 2011
19e8c92a906e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7…	Sep 23 2011
2d99de131d05	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7001 f3b2605a-c512-4ea7…	Sep 23 2011
1ba435ee1865	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7000 f3b2605a-c512-4ea7…	Sep 23 2011
cd6cff618686	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6999 f3b2605a-c512-4ea7…	Sep 23 2011
1ab03c7ee003	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6998 f3b2605a-c512-4ea7…	Sep 23 2011
dfa82f303946	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Sep 21 2011
08def5cda471	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Sep 19 2011
9a0434958091	Axel Kohlmeyer	re-insert code that was deleted by accident	Sep 16 2011
7f9bc64bbdea	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Sep 16 2011
755bbde1348c	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Sep 12 2011
13af60d3df77	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Sep 11 2011
b2ecc0df05f1	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Sep 8 2011
bea0821a5aa3	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Sep 3 2011
6db868e4c518	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Sep 1 2011
4b004ff15556	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Aug 31 2011
dab941df6327	Axel Kohlmeyer	undo incorrect bugfix	Aug 30 2011
fb9eabb2613d	Axel Kohlmeyer	avoid macosx compilation issues	Aug 30 2011
25109a2ca985	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Aug 28 2011
3e656bd41c49	Axel Kohlmeyer	avoid square root.	Aug 27 2011
50f788b7cf3c	Axel Kohlmeyer	Merge branch 'read-data-error-handling' into ak-fix	Aug 27 2011
fb994b97e5c2	Axel Kohlmeyer	better error handling for read_data	Aug 27 2011
5cf503759eab	Axel Kohlmeyer	avoid a square root and save time.	Aug 26 2011
ac3b84b7f781	Axel Kohlmeyer	Merge branch 'lj-cut-coul-long-tip4p-opt' into ak-fix	Aug 26 2011
91395427559a	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Aug 26 2011
a318816662d9	Axel Kohlmeyer	fix out of bounds array index.	Aug 26 2011
ae4664f62fef	Axel Kohlmeyer	Merge branch 'lj-cut-coul-long-tip4p-opt' into ak-fix	Aug 26 2011
9a13f65f8dab	Axel Kohlmeyer	a few more minor GPU cleanups.	Aug 24 2011
7e11df2d2dfd	Axel Kohlmeyer	fix imd documentation cleanup.	Aug 24 2011
3d50905e1341	Axel Kohlmeyer	Update text on MPI implementations.	Aug 24 2011
a42cf5476cb1	Axel Kohlmeyer	Merge branch 'lj-cut-coul-long-opt' into ak-fix	Aug 24 2011
b6bd997d7969	Axel Kohlmeyer	Merge branch 'fermi-mods' into ak-fix	Aug 24 2011
c5479893f41e	Axel Kohlmeyer	Merge branch 'master' into fermi-mods	Aug 24 2011
75cd0d145186	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Aug 24 2011
bdc60fba0e40	Axel Kohlmeyer	also make the table option a template value.	Aug 20 2011
786b55c65f1f	Axel Kohlmeyer	Merge branch 'lj-cut-coul-long-opt' into ak-fix	Aug 20 2011
21a5c4328e7b	Axel Kohlmeyer	Merge branch 'master' into ak-fix	Aug 20 2011
e284b73855be	Axel Kohlmeyer	Merge branch 'master' into fermi-mods	Aug 20 2011
424d0be4b931	Axel Kohlmeyer	adjust for local settings	Aug 20 2011
61796505fd89	Axel Kohlmeyer	adjust for local setup.	Aug 20 2011
22f22c9236d9	Axel Kohlmeyer	fix typo	Aug 20 2011

Changes (492)
Show All Changes

Very Large Commit

This commit is very large. Load each file individually.

				Path
	M			README
	M			doc/Section_errors.html
	M			doc/Section_errors.txt
	M			doc/Section_start.txt
	M			doc/fix_imd.txt
	M			doc/pair_coul.txt
	M			lib/gpu/Makefile.lammps
	M			lib/gpu/Nvidia.makefile
	M			lib/gpu/README
	M			lib/meam/Makefile.lammps
	M			src/ASPHERE/compute_erotate_asphere.cpp
	M			src/ASPHERE/compute_temp_asphere.cpp
	M			src/ASPHERE/fix_nh_asphere.cpp
	M			src/ASPHERE/fix_nph_asphere.cpp
	M			src/ASPHERE/fix_npt_asphere.cpp
	M			src/ASPHERE/fix_nve_asphere.cpp
	M			src/ASPHERE/fix_nvt_asphere.cpp
	M			src/ASPHERE/pair_gayberne.cpp
	M			src/ASPHERE/pair_resquared.cpp
	M			src/CLASS2/angle_class2.cpp
	M			src/CLASS2/bond_class2.cpp
	M			src/CLASS2/dihedral_class2.cpp
	M			src/CLASS2/improper_class2.cpp
	M			src/CLASS2/pair_lj_class2.cpp
	M			src/CLASS2/pair_lj_class2_coul_cut.cpp
	M			src/CLASS2/pair_lj_class2_coul_long.cpp
	M			src/COLLOID/fix_wall_colloid.cpp
	M			src/COLLOID/pair_colloid.cpp
	M			src/COLLOID/pair_lubricate.cpp
	M			src/COLLOID/pair_yukawa_colloid.cpp
	M			src/DIPOLE/atom_vec_dipole.cpp
	M			src/DIPOLE/pair_dipole_cut.cpp
	M			src/GPU/fix_gpu.cpp
	M			src/GPU/gpu_extra.h
	M			src/GPU/pair_cg_cmm_coul_long_gpu.cpp
	M			src/GPU/pair_cg_cmm_coul_msm.cpp
	M			src/GPU/pair_cg_cmm_coul_msm_gpu.cpp
	M			src/GPU/pair_cg_cmm_gpu.cpp
	M			src/GPU/pair_coul_long_gpu.cpp
	M			src/GPU/pair_gayberne_gpu.cpp
	M			src/GPU/pair_lj96_cut_gpu.cpp
	M			src/GPU/pair_lj_charmm_coul_long_gpu.cpp
	M			src/GPU/pair_lj_class2_coul_long_gpu.cpp
	M			src/GPU/pair_lj_class2_gpu.cpp
	M			src/GPU/pair_lj_cut_coul_cut_gpu.cpp
	M			src/GPU/pair_lj_cut_coul_long_gpu.cpp
	M			src/GPU/pair_lj_cut_gpu.cpp
	M			src/GPU/pair_lj_cut_tgpu.cpp
	M			src/GPU/pair_lj_expand_gpu.cpp
	M			src/GPU/pair_morse_gpu.cpp
	M			src/GPU/pair_resquared_gpu.cpp
	M			src/GPU/pppm_gpu.cpp
	M			src/GRANULAR/fix_freeze.cpp
	M			src/GRANULAR/fix_pour.cpp
	M			src/GRANULAR/fix_wall_gran.cpp
	M			src/GRANULAR/pair_gran_hertz_history.cpp
	M			src/GRANULAR/pair_gran_hooke.cpp
	M			src/GRANULAR/pair_gran_hooke_history.cpp
	M			src/KSPACE/ewald.cpp
	M			src/KSPACE/fft3d_wrap.cpp
	M			src/KSPACE/pair_born_coul_long.cpp
	M			src/KSPACE/pair_buck_coul_long.cpp
	M			src/KSPACE/pair_coul_long.cpp
	M			src/KSPACE/pair_lj_charmm_coul_long.cpp
	M			src/KSPACE/pair_lj_cut_coul_long.cpp
	M			src/KSPACE/pair_lj_cut_coul_long_tip4p.cpp
	M			src/KSPACE/pppm.cpp
	M			src/KSPACE/pppm_cg.cpp
	M			src/KSPACE/pppm_tip4p.cpp
	M			src/KSPACE/remap_wrap.cpp
	M			src/MANYBODY/fix_qeq_comb.cpp
	M			src/MANYBODY/pair_adp.cpp
	M			src/MANYBODY/pair_airebo.cpp
	M			src/MANYBODY/pair_comb.cpp
	M			src/MANYBODY/pair_eam.cpp
	M			src/MANYBODY/pair_eam_alloy.cpp
	M			src/MANYBODY/pair_eam_fs.cpp
	M			src/MANYBODY/pair_eim.cpp
	M			src/MANYBODY/pair_rebo.cpp
	M			src/MANYBODY/pair_sw.cpp
	M			src/MANYBODY/pair_tersoff.cpp
	M			src/MANYBODY/pair_tersoff_zbl.cpp
	M			src/MC/fix_bond_break.cpp
	M			src/MC/fix_bond_create.cpp
	M			src/MC/fix_bond_swap.cpp
	M			src/MC/fix_gcmc.cpp
	M			src/MC/pair_dsmc.cpp
	M			src/MEAM/pair_meam.cpp
	M			src/MOLECULE/angle_charmm.cpp
	M			src/MOLECULE/angle_cosine.cpp
	M			src/MOLECULE/angle_cosine_periodic.cpp
	M			src/MOLECULE/angle_cosine_squared.cpp
	M			src/MOLECULE/angle_harmonic.cpp
	M			src/MOLECULE/angle_hybrid.cpp
	M			src/MOLECULE/angle_table.cpp
	M			src/MOLECULE/atom_vec_angle.cpp
	M			src/MOLECULE/atom_vec_bond.cpp
	M			src/MOLECULE/atom_vec_full.cpp
	M			src/MOLECULE/atom_vec_molecular.cpp
	M			src/MOLECULE/bond_fene.cpp
	M			src/MOLECULE/bond_fene_expand.cpp
	M			src/MOLECULE/bond_harmonic.cpp
	M			src/MOLECULE/bond_morse.cpp
	M			src/MOLECULE/bond_nonlinear.cpp
	M			src/MOLECULE/bond_quartic.cpp
	M			src/MOLECULE/bond_table.cpp
	M			src/MOLECULE/dihedral_charmm.cpp
	M			src/MOLECULE/dihedral_harmonic.cpp
	M			src/MOLECULE/dihedral_helix.cpp
	M			src/MOLECULE/dihedral_hybrid.cpp
	M			src/MOLECULE/dihedral_multi_harmonic.cpp
	M			src/MOLECULE/dihedral_opls.cpp
	M			src/MOLECULE/improper_cvff.cpp
	M			src/MOLECULE/improper_harmonic.cpp
	M			src/MOLECULE/improper_hybrid.cpp
	M			src/MOLECULE/improper_umbrella.cpp
	M			src/MOLECULE/pair_hbond_dreiding_lj.cpp
	M			src/MOLECULE/pair_hbond_dreiding_morse.cpp
	M			src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
	M			src/Makefile
	M			src/Makefile.lib
	M			src/Makefile.list
	M			src/OPT/pair_eam_opt.cpp
	M			src/OPT/pair_lj_charmm_coul_long_opt.cpp
	M			src/PERI/atom_vec_peri.cpp
	M			src/PERI/compute_damage_atom.cpp
	M			src/PERI/fix_peri_neigh.cpp
	M			src/PERI/pair_peri_lps.cpp
	M			src/PERI/pair_peri_pmb.cpp
	M			src/POEMS/fix_poems.cpp
	M			src/REAX/fix_reax_bonds.cpp
	M			src/REAX/pair_reax.cpp
	M			src/REPLICA/compute_event_displace.cpp
	M			src/REPLICA/fix_event.cpp
	M			src/REPLICA/fix_event_prd.cpp
	M			src/REPLICA/fix_event_tad.cpp
	M			src/REPLICA/fix_neb.cpp
	M			src/REPLICA/neb.cpp
	M			src/REPLICA/prd.cpp
	M			src/REPLICA/tad.cpp
	M			src/REPLICA/temper.cpp
	M			src/SHOCK/fix_append_atoms.cpp
	M			src/SHOCK/fix_msst.cpp
	M			src/SHOCK/fix_nphug.cpp
	M			src/SHOCK/fix_wall_piston.cpp
	M			src/SRD/fix_srd.cpp
	M			src/SRD/fix_wall_srd.cpp
	M			src/USER-ATC/fix_atc.cpp
	M			src/USER-AWPMD/atom_vec_wavepacket.cpp
	M			src/USER-AWPMD/fix_nve_awpmd.cpp
	M			src/USER-AWPMD/pair_awpmd_cut.cpp
	M			src/USER-CG-CMM/angle_cg_cmm.cpp
	M			src/USER-CG-CMM/pair_cg_cmm_coul_cut.cpp
	M			src/USER-CG-CMM/pair_cg_cmm_coul_long.cpp
	M			src/USER-CG-CMM/pair_cmm_common.cpp
	M			src/USER-CUDA/atom_vec_angle_cuda.cpp
	M			src/USER-CUDA/atom_vec_atomic_cuda.cpp
	M			src/USER-CUDA/atom_vec_charge_cuda.cpp
	M			src/USER-CUDA/atom_vec_full_cuda.cpp
	M			src/USER-CUDA/comm_cuda.cpp
	M			src/USER-CUDA/compute_pressure_cuda.cpp
	M			src/USER-CUDA/compute_temp_cuda.cpp
	M			src/USER-CUDA/compute_temp_partial_cuda.cpp
	M			src/USER-CUDA/cuda.cpp
	M			src/USER-CUDA/cuda_neigh_list.cpp
	M			src/USER-CUDA/domain_cuda.cpp
	M			src/USER-CUDA/fft3d_cuda.cpp
	M			src/USER-CUDA/fft3d_wrap_cuda.cpp
	M			src/USER-CUDA/fix_addforce_cuda.cpp
	M			src/USER-CUDA/fix_aveforce_cuda.cpp
	M			src/USER-CUDA/fix_enforce2d_cuda.cpp
	M			src/USER-CUDA/fix_freeze_cuda.cpp
	M			src/USER-CUDA/fix_gravity_cuda.cpp
	M			src/USER-CUDA/fix_nh_cuda.cpp
	M			src/USER-CUDA/fix_npt_cuda.cpp
	M			src/USER-CUDA/fix_nve_cuda.cpp
	M			src/USER-CUDA/fix_nvt_cuda.cpp
	M			src/USER-CUDA/fix_set_force_cuda.cpp
	M			src/USER-CUDA/fix_shake_cuda.cpp
	M			src/USER-CUDA/fix_temp_berendsen_cuda.cpp
	M			src/USER-CUDA/fix_temp_rescale_cuda.cpp
	M			src/USER-CUDA/fix_temp_rescale_limit_cuda.cpp
	M			src/USER-CUDA/fix_viscous_cuda.cpp
	M			src/USER-CUDA/modify_cuda.cpp
	M			src/USER-CUDA/neigh_full_cuda.cpp
	M			src/USER-CUDA/neighbor_cuda.cpp
	M			src/USER-CUDA/pair_born_coul_long_cuda.cpp
	M			src/USER-CUDA/pair_buck_coul_cut_cuda.cpp
	M			src/USER-CUDA/pair_buck_coul_long_cuda.cpp
	M			src/USER-CUDA/pair_buck_cuda.cpp
	M			src/USER-CUDA/pair_cg_cmm_coul_cut_cuda.cpp
	M			src/USER-CUDA/pair_cg_cmm_coul_debye_cuda.cpp
	M			src/USER-CUDA/pair_cg_cmm_coul_long_cuda.cpp
	M			src/USER-CUDA/pair_cg_cmm_cuda.cpp
	M			src/USER-CUDA/pair_eam_alloy_cuda.cpp
	M			src/USER-CUDA/pair_eam_cuda.cpp
	M			src/USER-CUDA/pair_eam_fs_cuda.cpp
	M			src/USER-CUDA/pair_gran_hooke_cuda.cpp
	M			src/USER-CUDA/pair_lj96_cut_cuda.cpp
	M			src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp
	M			src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp
	M			src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp
	M			src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp
	M			src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp
	M			src/USER-CUDA/pair_lj_class2_cuda.cpp
	M			src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp
	M			src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp
	M			src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp
	M			src/USER-CUDA/pair_lj_cut_cuda.cpp
	M			src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp
	M			src/USER-CUDA/pair_lj_expand_cuda.cpp
	M			src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp
	M			src/USER-CUDA/pair_lj_gromacs_cuda.cpp
	M			src/USER-CUDA/pair_lj_smooth_cuda.cpp
	M			src/USER-CUDA/pair_morse_cuda.cpp
	M			src/USER-CUDA/pppm_cuda.cpp
	M			src/USER-CUDA/verlet_cuda.cpp
	M			src/USER-EFF/atom_vec_electron.cpp
	M			src/USER-EFF/compute_ke_atom_eff.cpp
	M			src/USER-EFF/compute_ke_eff.cpp
	M			src/USER-EFF/compute_temp_deform_eff.cpp
	M			src/USER-EFF/compute_temp_eff.cpp
	M			src/USER-EFF/compute_temp_region_eff.cpp
	M			src/USER-EFF/fix_nh_eff.cpp
	M			src/USER-EFF/fix_nph_eff.cpp
	M			src/USER-EFF/fix_npt_eff.cpp
	M			src/USER-EFF/fix_nve_eff.cpp
	M			src/USER-EFF/fix_nvt_eff.cpp
	M			src/USER-EFF/fix_nvt_sllod_eff.cpp
	M			src/USER-EFF/fix_temp_rescale_eff.cpp
	M			src/USER-EFF/pair_eff_cut.cpp
	M			src/USER-EWALDN/ewald_n.cpp
	M			src/USER-EWALDN/pair_buck_coul.cpp
	M			src/USER-EWALDN/pair_lj_coul.cpp
	M			src/USER-MISC/angle_cosine_shift.cpp
	M			src/USER-MISC/angle_cosine_shift_exp.cpp
	M			src/USER-MISC/bond_harmonic_shift.cpp
	M			src/USER-MISC/bond_harmonic_shift_cut.cpp
	M			src/USER-MISC/compute_ackland_atom.cpp
	M			src/USER-MISC/compute_temp_rotate.cpp
	M			src/USER-MISC/dihedral_cosine_shift_exp.cpp
	M			src/USER-MISC/fix_addtorque.cpp
	M			src/USER-MISC/fix_imd.cpp
	M			src/USER-MISC/fix_smd.cpp
	M			src/USER-MISC/pair_cdeam.cpp
	M			src/USER-MISC/pair_dipole_sf.cpp
	M			src/USER-MISC/pair_edip.cpp
	M			src/USER-MISC/pair_lj_sf.cpp
	M			src/USER-REAXC/fix_qeq_reax.cpp
	M			src/USER-REAXC/pair_reax_c.cpp
	M			src/USER-SPH/atom_vec_meso.cpp
	M			src/USER-SPH/compute_meso_e_atom.cpp
	M			src/USER-SPH/compute_meso_rho_atom.cpp
	M			src/USER-SPH/compute_meso_t_atom.cpp
	M			src/USER-SPH/fix_meso.cpp
	M			src/USER-SPH/fix_meso_stationary.cpp
	M			src/USER-SPH/pair_sph_heatconduction.cpp
	M			src/USER-SPH/pair_sph_idealgas.cpp
	M			src/USER-SPH/pair_sph_lj.cpp
	M			src/USER-SPH/pair_sph_rhosum.cpp
	M			src/USER-SPH/pair_sph_taitwater.cpp
	M			src/USER-SPH/pair_sph_taitwater_morris.cpp
	M			src/XTC/dump_xtc.cpp
	M			src/angle.cpp
	M			src/atom.cpp
	M			src/atom_vec_atomic.cpp
	M			src/atom_vec_charge.cpp
	M			src/atom_vec_ellipsoid.cpp
	M			src/atom_vec_hybrid.cpp
	M			src/atom_vec_sphere.cpp
	M			src/bond.cpp
	M			src/bond_hybrid.cpp
	M			src/change_box.cpp
	M			src/comm.cpp
	M			src/compute.cpp
	M			src/compute_angle_local.cpp
	M			src/compute_atom_molecule.cpp
	M			src/compute_bond_local.cpp
	M			src/compute_centro_atom.cpp
	M			src/compute_cluster_atom.cpp
	M			src/compute_cna_atom.cpp
	M			src/compute_com.cpp
	M			src/compute_com_molecule.cpp
	M			src/compute_coord_atom.cpp
	M			src/compute_dihedral_local.cpp
	M			src/compute_displace_atom.cpp
	M			src/compute_erotate_sphere.cpp
	M			src/compute_group_group.cpp
	M			src/compute_gyration.cpp
	M			src/compute_gyration_molecule.cpp
	M			src/compute_heat_flux.cpp
	M			src/compute_improper_local.cpp
	M			src/compute_ke.cpp
	M			src/compute_ke_atom.cpp
	M			src/compute_msd.cpp
	M			src/compute_msd_molecule.cpp
	M			src/compute_pair.cpp
	M			src/compute_pair_local.cpp
	M			src/compute_pe.cpp
	M			src/compute_pe_atom.cpp
	M			src/compute_pressure.cpp
	M			src/compute_property_atom.cpp
	M			src/compute_property_local.cpp
	M			src/compute_property_molecule.cpp
	M			src/compute_rdf.cpp
	M			src/compute_reduce.cpp
	M			src/compute_reduce_region.cpp
	M			src/compute_slice.cpp
	M			src/compute_stress_atom.cpp
	M			src/compute_temp.cpp
	M			src/compute_temp_com.cpp
	M			src/compute_temp_deform.cpp
	M			src/compute_temp_partial.cpp
	M			src/compute_temp_profile.cpp
	M			src/compute_temp_ramp.cpp
	M			src/compute_temp_region.cpp
	M			src/compute_temp_sphere.cpp
	M			src/compute_ti.cpp
	M			src/create_atoms.cpp
	M			src/create_box.cpp
	M			src/delete_atoms.cpp
	M			src/delete_bonds.cpp
	M			src/dihedral.cpp
	M			src/displace_atoms.cpp
	M			src/displace_box.cpp
	M			src/domain.cpp
	M			src/dump.cpp
	M			src/dump_atom.cpp
	M			src/dump_cfg.cpp
	M			src/dump_custom.cpp
	M			src/dump_dcd.cpp
	M			src/dump_image.cpp
	M			src/dump_local.cpp
	M			src/dump_xyz.cpp
	M			src/error.cpp
	M			src/error.h
	M			src/finish.cpp
	M			src/fix.cpp
	M			src/fix_adapt.cpp
	M			src/fix_addforce.cpp
	M			src/fix_ave_atom.cpp
	M			src/fix_ave_correlate.cpp
	M			src/fix_ave_histo.cpp
	M			src/fix_ave_spatial.cpp
	M			src/fix_ave_time.cpp
	M			src/fix_aveforce.cpp
	M			src/fix_box_relax.cpp
	M			src/fix_deform.cpp
	M			src/fix_deposit.cpp
	M			src/fix_drag.cpp
	M			src/fix_dt_reset.cpp
	M			src/fix_efield.cpp
	M			src/fix_enforce2d.cpp
	M			src/fix_evaporate.cpp
	M			src/fix_external.cpp
	M			src/fix_gravity.cpp
	M			src/fix_heat.cpp
	M			src/fix_indent.cpp
	M			src/fix_langevin.cpp
	M			src/fix_lineforce.cpp
	M			src/fix_momentum.cpp
	M			src/fix_move.cpp
	M			src/fix_nh.cpp
	M			src/fix_nh_sphere.cpp
	M			src/fix_nph.cpp
	M			src/fix_nph_sphere.cpp
	M			src/fix_npt.cpp
	M			src/fix_npt_sphere.cpp
	M			src/fix_nve.cpp
	M			src/fix_nve_limit.cpp
	M			src/fix_nve_noforce.cpp
	M			src/fix_nve_sphere.cpp
	M			src/fix_nvt.cpp
	M			src/fix_nvt_sllod.cpp
	M			src/fix_nvt_sphere.cpp
	M			src/fix_orient_fcc.cpp
	M			src/fix_planeforce.cpp
	M			src/fix_press_berendsen.cpp
	M			src/fix_print.cpp
	M			src/fix_recenter.cpp
	M			src/fix_restrain.cpp
	M			src/fix_rigid.cpp
	M			src/fix_rigid_nvt.cpp
	M			src/fix_setforce.cpp
	M			src/fix_shake.cpp
	M			src/fix_shear_history.cpp
	M			src/fix_spring.cpp
	M			src/fix_spring_rg.cpp
	M			src/fix_spring_self.cpp
	M			src/fix_store_force.cpp
	M			src/fix_store_state.cpp
	M			src/fix_temp_berendsen.cpp
	M			src/fix_temp_rescale.cpp
	M			src/fix_thermal_conductivity.cpp
	M			src/fix_tmd.cpp
	M			src/fix_ttm.cpp
	M			src/fix_viscosity.cpp
	M			src/fix_viscous.cpp
	M			src/fix_wall.cpp
	M			src/fix_wall_harmonic.cpp
	M			src/fix_wall_lj126.cpp
	M			src/fix_wall_lj93.cpp
	M			src/fix_wall_reflect.cpp
	M			src/fix_wall_region.cpp
	M			src/force.cpp
	M			src/group.cpp
	M			src/improper.cpp
	M			src/input.cpp
	M			src/irregular.cpp
	M			src/kspace.cpp
	M			src/lammps.cpp
	M			src/lattice.cpp
	M			src/memory.cpp
	M			src/min.cpp
	M			src/min_cg.cpp
	M			src/min_fire.cpp
	M			src/min_hftn.cpp
	M			src/min_linesearch.cpp
	M			src/min_quickmin.cpp
	M			src/minimize.cpp
	M			src/modify.cpp
	M			src/neigh_bond.cpp
	M			src/neigh_derive.cpp
	M			src/neigh_full.cpp
	M			src/neigh_gran.cpp
	M			src/neigh_half_bin.cpp
	M			src/neigh_half_multi.cpp
	M			src/neigh_half_nsq.cpp
	M			src/neigh_respa.cpp
	M			src/neighbor.cpp
	M			src/output.cpp
	M			src/pair.cpp
	M			src/pair_born.cpp
	M			src/pair_buck.cpp
	M			src/pair_buck_coul_cut.cpp
	M			src/pair_coul_cut.cpp
	M			src/pair_coul_debye.cpp
	M			src/pair_dpd.cpp
	M			src/pair_dpd_tstat.cpp
	M			src/pair_gauss.cpp
	M			src/pair_hybrid.cpp
	M			src/pair_hybrid_overlay.cpp
	M			src/pair_lj96_cut.cpp
	M			src/pair_lj_cubic.cpp
	M			src/pair_lj_cut.cpp
	M			src/pair_lj_cut_coul_cut.cpp
	M			src/pair_lj_cut_coul_debye.cpp
	M			src/pair_lj_expand.cpp
	M			src/pair_lj_gromacs.cpp
	M			src/pair_lj_gromacs_coul_gromacs.cpp
	M			src/pair_lj_smooth.cpp
	M			src/pair_morse.cpp
	M			src/pair_soft.cpp
	M			src/pair_table.cpp
	M			src/pair_yukawa.cpp
	M			src/pointers.h
	M			src/random_mars.cpp
	M			src/random_park.cpp
	M			src/read_data.cpp
	M			src/read_restart.cpp
	M			src/region.cpp
	M			src/region_block.cpp
	M			src/region_cone.cpp
	M			src/region_cylinder.cpp
	M			src/region_intersect.cpp
	M			src/region_plane.cpp
	M			src/region_prism.cpp
	M			src/region_sphere.cpp
	M			src/region_union.cpp
	M			src/replicate.cpp
	M			src/respa.cpp
	M			src/run.cpp
	M			src/set.cpp
	M			src/special.cpp
	M			src/thermo.cpp
	M			src/update.cpp
	M			src/variable.cpp
	M			src/velocity.cpp
	M			src/verlet.cpp
	M			src/version.h
	M			src/write_restart.cpp
	M			tools/msi2lmp/README
	A			tools/msi2lmp/TriclinicModification.pdf
	A			tools/msi2lmp/biosym_frc_files/clayff.frc
	M			tools/msi2lmp/src/GetParameters.c
	M			tools/msi2lmp/src/Makefile
	M			tools/msi2lmp/src/Msi2LMP2.h
	M			tools/msi2lmp/src/ReadCarFile.c
	M			tools/msi2lmp/src/WriteDataFile.c
	M			tools/msi2lmp/src/WriteDataFile05.c
	M			tools/msi2lmp/src/msi2lmp.c
	M			tools/restart2data.cpp