Diffusion lammps ad5481831fdc

Merge branch 'USER-DPD_GBhacks' into USER-DPD_GBhacks_ssa_mem as of patch…
ad5481831fdc
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Authored by Tim Mattox <timothy.mattox@engilitycorp.com> on Apr 5 2017, 22:38.

Description

Merge branch 'USER-DPD_GBhacks' into USER-DPD_GBhacks_ssa_mem as of patch 31March17

Details

Committed

Tim Mattox <timothy.mattox@engilitycorp.com>

Apr 5 2017, 22:38

Pushed

junge

Oct 19 2017, 09:53

Parents

rLAMMPS456926a32195: Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks as of patch 31March17
rLAMMPS2b2f3bd57c1d: USER-DPD Kokkos: #ifdef DEBUG_SSA_BUILD_LOCALS the new debug output

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Event Timeline

Tim Mattox <timothy.mattox@engilitycorp.com> committed rLAMMPSad5481831fdc: Merge branch 'USER-DPD_GBhacks' into USER-DPD_GBhacks_ssa_mem as of patch… (authored by Tim Mattox <timothy.mattox@engilitycorp.com>).Apr 5 2017, 22:38

Merged Changes

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

Commit	Author	Details	Committed
456926a32195	Tim Mattox	Merge branch 'USER-DPD_kokkos' into USER-DPD_GBhacks as of patch 31March17	Apr 5 2017
bceaa5761426	Tim Mattox	Merge branch 'master' into USER-DPD_kokkos as of patch 31Mar17	Apr 5 2017
4d4b6f66b713	Stan Moore	Changing default gb/test to on	Apr 5 2017
aedd7c57f3f7	Stan Moore	Reset atom map values from restart file	Apr 4 2017
6ba59cb4583c	Dan Ibanez/Stan Moore	fix memory leak in fix_shardlow_kokkos	Apr 1 2017
fe82926c1f41	Dan Ibanez/Stan Moore	fix memory leaks in pair_tabl_rx_kokkos	Apr 1 2017
697b0725524d	Stan Moore/GitHub	Merge pull request #21 from ibaned/dpd-memleaks	Apr 1 2017
5edbd6392068	Dan Ibanez	fix memory leak in fix_shardlow_kokkos	Apr 1 2017
bf4f0817d4f8	Dan Ibanez	fix memory leaks in pair_tabl_rx_kokkos	Mar 31 2017
085958f06575	Dan Ibanez	Merge remote-tracking branch 'timattox/USER-DPD_GBhacks' into dpd-memleaks	Mar 31 2017
ae56b9ad8915	Steve Plimpton	patch 31Mar17 for stable release	Mar 30 2017
4466d9fb4a47	sjplimp/GitHub	Merge pull request #440 from ohenrich/user-cgdna	Mar 30 2017
ac1aa9edea39	Oliver Henrich	Updated README	Mar 29 2017
c733204a700c	Oliver Henrich	Updated lammps.book and install script	Mar 29 2017
4b9d0a956632	Steve Plimpton	sync with SVN	Mar 28 2017
0637f2387518	Steve Plimpton	patch 28Mar17	Mar 28 2017
b3d6d9f8cf3e	Dan Ibanez/Stan Moore	fix memory leak via NeighListKokkos::clean_copy()	Mar 28 2017
9f6e126a2f2e	sjplimp/GitHub	Merge pull request #437 from ohenrich/user-cgdna	Mar 28 2017
645f56cf7021	sjplimp/GitHub	Merge pull request #436 from Pakketeretet2/better_incorrect_input_handling_nh	Mar 28 2017
80e5111dcabc	sjplimp/GitHub	Merge pull request #434 from akohlmey/imgflags-in-library	Mar 28 2017
7e9f05b617ad	sjplimp/GitHub	Merge pull request #433 from akohlmey/fixes-for-stable	Mar 28 2017
1d8f0c762d2c	Axel Kohlmeyer	Merge branch 'master' into fixes-for-stable	Mar 28 2017
ef6070cbdeb5	Axel Kohlmeyer	remove executable permissions for potential files	Mar 28 2017
61f3ff1d2be2	Steve Plimpton	Merge branch 'master' of github.com:lammps/lammps	Mar 28 2017
111d350a223f	Steve Plimpton	fix gcmc units change for chemical potential	Mar 28 2017
1dfd61f532a6	sjplimp/GitHub	Merge pull request #432 from Pakketeretet2/user_manifold_fix	Mar 28 2017
5c1f5462e792	Oliver Henrich	Removed contribution line from header files	Mar 28 2017
66a6375405b6	Oliver Henrich	Resolved merge conflict	Mar 28 2017
604afebf6fef	Oliver Henrich	Update to oxDNA2	Mar 28 2017
8afed61db1c8	Oliver Henrich	Upgrade to oxDNA2	Mar 28 2017
ee55a981032f	Stefan Paquay	Changed the check on initial and final temperature to <= 0 for both.	Mar 28 2017
f8da9a866a73	Axel Kohlmeyer	synchronize dump custom/vtk documentation with that of dump custom	Mar 28 2017
28bdebd3c045	Axel Kohlmeyer	avoid segfault when calling PPPM*::memory_usage() before grid communication is…	Mar 28 2017
fc51c38abb2b	Axel Kohlmeyer	add some docs for the special treatment of image flags	Mar 28 2017
443ea13effa4	Axel Kohlmeyer	add image flag packing/unpacking to library/python interface	Mar 28 2017
5feeb79c13f2	Axel Kohlmeyer	one more line of dead code removed	Mar 27 2017
a241b2d0f7c8	Axel Kohlmeyer	fix problems with references	Mar 27 2017
61e7595a94bf	Axel Kohlmeyer	remove references to xmovie, streamline dump and viz descriptions	Mar 27 2017
da9096750e55	Axel Kohlmeyer	update .gitignore for newly added files	Mar 27 2017
87ea9ba66162	Axel Kohlmeyer	bugfix for library interface	Mar 27 2017
c041727e4fed	Axel Kohlmeyer	remove dead code and reduce trivial compiler warnings (clang++)	Mar 27 2017
3feffbe1de32	Stefan Paquay	Removed diagnostics.	Mar 27 2017
04fd038d350b	Stefan Paquay	Fixed a bug with equal-style variables as manifold params.	Mar 27 2017
3dfe4505ddcb	Steve Plimpton	24Mar17 patch sync with SVN	Mar 24 2017
394e9b42b06a	Steve Plimpton	new CHARMM pair styles with force swithing/shifting	Mar 24 2017
e6fcaefe95d3	sjplimp/GitHub	Merge pull request #431 from v0i0/fix-airebo-morse	Mar 24 2017
f5a85d68add0	sjplimp/GitHub	Merge pull request #429 from akohlmey/updates-for-stable	Mar 24 2017
277b93cb8956	sjplimp/GitHub	Merge pull request #417 from tonnamb/add-pair-zhou	Mar 24 2017
8820315ff96a	Axel Kohlmeyer	Merge branch 'master' into updates-for-stable	Mar 23 2017
44841f689127	Steve Plimpton	fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof	Mar 23 2017

Changes (340)
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Very Large Commit

This commit is very large. Load each file individually.

		Path
M		doc/Makefile
A		doc/src/Eqs/fix_gcmc1.jpg
A		doc/src/Eqs/fix_gcmc1.tex
A		doc/src/Eqs/fix_gcmc2.jpg
A		doc/src/Eqs/fix_gcmc2.tex
A		doc/src/Eqs/fix_gcmc3.jpg
A		doc/src/Eqs/fix_gcmc3.tex
A		doc/src/Eqs/pair_momb.jpg
A		doc/src/Eqs/pair_momb.tex
M		doc/src/Manual.txt
M		doc/src/PDF/USER-CGDNA-overview.pdf
M		doc/src/Section_commands.txt
M		doc/src/Section_example.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_tools.txt
M		doc/src/accelerate_intel.txt
M		doc/src/angle_dipole.txt
M		doc/src/atom_style.txt
M		doc/src/bond_oxdna.txt
M		doc/src/bonds.txt
M		doc/src/compute_chunk_atom.txt
M		doc/src/compute_coord_atom.txt
M		doc/src/compute_dpd.txt
M		doc/src/compute_dpd_atom.txt
M		doc/src/compute_modify.txt
M		doc/src/compute_orientorder_atom.txt
M		doc/src/compute_pe_atom.txt
M		doc/src/compute_pressure.txt
M		doc/src/compute_sna_atom.txt
M		doc/src/compute_stress_atom.txt
M		doc/src/compute_temp_cs.txt
M		doc/src/compute_temp_profile.txt
M		doc/src/dihedral_charmm.txt
M		doc/src/dump.txt
M		doc/src/dump_custom_vtk.txt
M		doc/src/dump_molfile.txt
M		doc/src/fix_ave_chunk.txt
M		doc/src/fix_cmap.txt
M		doc/src/fix_deposit.txt
M		doc/src/fix_dpd_energy.txt
M		doc/src/fix_drude_transform.txt
M		doc/src/fix_eos_cv.txt
M		doc/src/fix_flow_gauss.txt
M		doc/src/fix_gcmc.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_pc.txt
M		doc/src/fix_lb_viscous.txt
M		doc/src/fix_modify.txt
M		doc/src/fix_nh.txt
M		doc/src/fix_nh_eff.txt
M		doc/src/fix_nph_sphere.txt
M		doc/src/fix_nphug.txt
M		doc/src/fix_npt_sphere.txt
M		doc/src/fix_nve_dot.txt
M		doc/src/fix_nve_dotc_langevin.txt
M		doc/src/fix_nve_manifold_rattle.txt
M		doc/src/fix_nve_sphere.txt
M		doc/src/fix_nvt_manifold_rattle.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_pour.txt
M		doc/src/fix_press_berendsen.txt
M		doc/src/fix_qeq.txt
M		doc/src/fix_qeq_reax.txt
M		doc/src/fix_rigid.txt
M		doc/src/fix_shake.txt
M		doc/src/fix_shardlow.txt
M		doc/src/fix_srd.txt
M		doc/src/fix_temp_berendsen.txt
M		doc/src/fix_thermal_conductivity.txt
M		doc/src/fix_viscosity.txt
M		doc/src/kspace_modify.txt
M		doc/src/kspace_style.txt
M		doc/src/lammps.book
M		doc/src/neb.txt
M		doc/src/pair_bop.txt
M		doc/src/pair_charmm.txt
M		doc/src/pair_colloid.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_dpd_fdt.txt
M		doc/src/pair_eim.txt
M		doc/src/pair_gauss.txt
M		doc/src/pair_gayberne.txt
M		doc/src/pair_gran.txt
M		doc/src/pair_kolmogorov_crespi_z.txt
M		doc/src/pair_lj.txt
M		doc/src/pair_lj_cubic.txt
M		doc/src/pair_lj_long.txt
M		doc/src/pair_lubricate.txt
M		doc/src/pair_lubricateU.txt
M		doc/src/pair_meam.txt
M		doc/src/pair_meam_spline.txt
M		doc/src/pair_meam_sw_spline.txt
M		doc/src/pair_modify.txt
A		doc/src/pair_momb.txt
M		doc/src/pair_multi_lucy.txt
M		doc/src/pair_multi_lucy_rx.txt
M		doc/src/pair_oxdna.txt
A		doc/src/pair_oxdna2.txt
M		doc/src/pair_polymorphic.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_smtbq.txt
M		doc/src/pair_snap.txt
M		doc/src/pair_srp.txt
M		doc/src/pair_sw.txt
M		doc/src/pair_table.txt
M		doc/src/pair_tersoff.txt
M		doc/src/pair_tersoff_mod.txt
M		doc/src/pair_thole.txt
M		doc/src/pairs.txt
M		doc/src/prd.txt
M		doc/src/read_data.txt
M		doc/src/run_style.txt
M		doc/src/set.txt
M		doc/src/tad.txt
M		doc/src/tutorial_drude.txt
M		doc/utils/sphinx-config/_themes/lammps_theme/breadcrumbs.html
M		examples/README
M		examples/USER/cgdna/README
D		examples/USER/cgdna/examples/duplex1
D		examples/USER/cgdna/examples/duplex1/data.duplex1
D		examples/USER/cgdna/examples/duplex1/input.duplex1
D		examples/USER/cgdna/examples/duplex1/log.9Jan17.duplex1.g++.1
D		examples/USER/cgdna/examples/duplex1/log.9Jan17.duplex1.g++.4
D		examples/USER/cgdna/examples/duplex2
D		examples/USER/cgdna/examples/duplex2/data.duplex2
D		examples/USER/cgdna/examples/duplex2/input.duplex2
D		examples/USER/cgdna/examples/duplex2/log.9Jan17.duplex2.g++.1
D		examples/USER/cgdna/examples/duplex2/log.9Jan17.duplex2.g++.4
A	(dir)	examples/USER/cgdna/examples/oxDNA/
A	(dir)	examples/USER/cgdna/examples/oxDNA/duplex1/
A		examples/USER/cgdna/examples/oxDNA/duplex1/data.duplex1
A		examples/USER/cgdna/examples/oxDNA/duplex1/input.duplex1
A		examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.1
A		examples/USER/cgdna/examples/oxDNA/duplex1/log.24Mar17.duplex1.g++.4
A	(dir)	examples/USER/cgdna/examples/oxDNA/duplex2/
A		examples/USER/cgdna/examples/oxDNA/duplex2/data.duplex2
A		examples/USER/cgdna/examples/oxDNA/duplex2/input.duplex2
A		examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.1
A		examples/USER/cgdna/examples/oxDNA/duplex2/log.24Mar17.duplex2.g++.4
A	(dir)	examples/USER/cgdna/examples/oxDNA2/
A	(dir)	examples/USER/cgdna/examples/oxDNA2/duplex1/
A		examples/USER/cgdna/examples/oxDNA2/duplex1/data.duplex1
A		examples/USER/cgdna/examples/oxDNA2/duplex1/input.duplex1
A		examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.1
A		examples/USER/cgdna/examples/oxDNA2/duplex1/log.24Mar17.duplex1.g++.4
A	(dir)	examples/USER/cgdna/examples/oxDNA2/duplex2/
A		examples/USER/cgdna/examples/oxDNA2/duplex2/data.duplex2
A		examples/USER/cgdna/examples/oxDNA2/duplex2/input.duplex2
A		examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.1
A		examples/USER/cgdna/examples/oxDNA2/duplex2/log.24Mar17.duplex2.g++.4
M		examples/USER/cgdna/util/sequence_simple.txt
A	(dir)	examples/USER/misc/momb/
A		examples/USER/misc/momb/Ag_O1X5.5_O2X0.55.eam.fs
A		examples/USER/misc/momb/README
A		examples/USER/misc/momb/in.system
A		examples/USER/misc/momb/log.17Mar2017.system.g++.1
A		examples/USER/misc/momb/log.17Mar2017.system.g++.4
A		examples/USER/misc/momb/system.data
M		examples/accelerate/in.lc
M		examples/deposit/in.deposit.atom
M		examples/deposit/in.deposit.molecule
M		examples/deposit/in.deposit.molecule.shake
M		examples/ellipse/in.ellipse.gayberne
M		examples/ellipse/in.ellipse.resquared
A	(dir)	examples/gcmc/
A		examples/gcmc/CO2.txt
A		examples/gcmc/in.gcmc.co2
A		examples/gcmc/in.gcmc.lj
A		examples/gcmc/log.24Mar17.gcmc.co2.g++.1
A		examples/gcmc/log.24Mar17.gcmc.co2.g++.4
A		examples/gcmc/log.24Mar17.gcmc.lj.g++.1
A		examples/gcmc/log.24Mar17.gcmc.lj.g++.4
M		examples/granregion/in.granregion.box
M		examples/pour/in.pour
M		examples/pour/in.pour.2d
M		examples/pour/in.pour.2d.molecule
M		examples/snap/Ta06A.snapparam
M		examples/snap/W_2940_2017_2.snapparam
M		potentials/InP.vashishta
M		potentials/SiC.vashishta
M		potentials/SiO.1990.vashishta
M		potentials/SiO.1994.vashishta
M		potentials/SiO.1997.vashishta
M		potentials/ffield.smtbq.Al
M		potentials/ffield.smtbq.Al2O3
M		potentials/ffield.smtbq.TiO2
M		src/.gitignore
M		src/GRANULAR/fix_wall_gran_region.cpp
M		src/KOKKOS/fix_shardlow_kokkos.cpp
M		src/KOKKOS/kokkos.cpp
M		src/KOKKOS/pair_table_rx_kokkos.cpp
M		src/KOKKOS/pppm_kokkos.cpp
A		src/KSPACE/pair_lj_charmmfsw_coul_long.cpp
A		src/KSPACE/pair_lj_charmmfsw_coul_long.h
M		src/KSPACE/pppm.cpp
M		src/KSPACE/pppm_disp.cpp
M		src/KSPACE/pppm_tip4p.cpp
M		src/KSPACE/pppm_tip4p.h
M		src/MANYBODY/pair_airebo.cpp
P		src/MANYBODY/pair_airebo_morse.cpp Copied to multiple locations: src/USER-CGDNA/bond_oxdna2_fene.cpp src/USER-CGDNA/pair_oxdna2_stk.cpp
M		src/MC/fix_gcmc.cpp
M		src/MC/fix_gcmc.h
M		src/MISC/fix_deposit.cpp
A		src/MOLECULE/dihedral_charmmfsh.cpp
A		src/MOLECULE/dihedral_charmmfsh.h
M		src/MOLECULE/fix_cmap.cpp
A		src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.cpp
P		src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h Copied from src/USER-CGDNA/pair_oxdna_excv.h
M		src/OPT/pair_eam_opt.cpp
M		src/QEQ/fix_qeq_dynamic.cpp
M		src/RIGID/fix_rigid_nh_small.cpp
M		src/RIGID/fix_rigid_nh_small.h
M		src/SNAP/compute_sna_atom.cpp
M		src/SNAP/compute_snad_atom.cpp
M		src/SNAP/compute_snav_atom.cpp
M		src/SNAP/pair_snap.cpp
M		src/SNAP/pair_snap.h
M		src/SNAP/sna.cpp
M		src/SNAP/sna.h
M		src/USER-CGDNA/Install.sh
M		src/USER-CGDNA/README
P		src/USER-CGDNA/bond_oxdna2_fene.cpp Copied from src/MANYBODY/pair_airebo_morse.cpp
P		src/USER-CGDNA/bond_oxdna2_fene.h Copied from src/USER-CGDNA/bond_oxdna_fene.h
M		src/USER-CGDNA/bond_oxdna_fene.cpp
P		src/USER-CGDNA/bond_oxdna_fene.h Copied to src/USER-CGDNA/bond_oxdna2_fene.h
M		src/USER-CGDNA/fix_nve_dot.cpp
M		src/USER-CGDNA/fix_nve_dotc_langevin.cpp
M		src/USER-CGDNA/mf_oxdna.h
P		src/USER-CGDNA/pair_oxdna2_coaxstk.cpp Copied from src/USER-CGDNA/pair_oxdna_coaxstk.cpp
P		src/USER-CGDNA/pair_oxdna2_coaxstk.h Copied from src/USER-CGDNA/pair_oxdna_coaxstk.h
A		src/USER-CGDNA/pair_oxdna2_dh.cpp
P		src/USER-CGDNA/pair_oxdna2_dh.h Copied from src/USER-CGDNA/pair_oxdna_excv.h
A		src/USER-CGDNA/pair_oxdna2_excv.cpp
P		src/USER-CGDNA/pair_oxdna2_excv.h Copied from src/fix_momentum.h
P		src/USER-CGDNA/pair_oxdna2_stk.cpp Copied from src/MANYBODY/pair_airebo_morse.cpp
P		src/USER-CGDNA/pair_oxdna2_stk.h Copied from src/fix_momentum.h
P		src/USER-CGDNA/pair_oxdna_coaxstk.cpp Copied to src/USER-CGDNA/pair_oxdna2_coaxstk.cpp
P		src/USER-CGDNA/pair_oxdna_coaxstk.h Copied to src/USER-CGDNA/pair_oxdna2_coaxstk.h
M		src/USER-CGDNA/pair_oxdna_excv.cpp
P		src/USER-CGDNA/pair_oxdna_excv.h Copied to multiple locations: src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h src/USER-CGDNA/pair_oxdna2_dh.h src/USER-MISC/pair_momb.h
M		src/USER-CGDNA/pair_oxdna_hbond.cpp
M		src/USER-CGDNA/pair_oxdna_hbond.h
M		src/USER-CGDNA/pair_oxdna_stk.cpp
M		src/USER-CGDNA/pair_oxdna_stk.h
M		src/USER-CGDNA/pair_oxdna_xstk.cpp
M		src/USER-CGDNA/pair_oxdna_xstk.h
M		src/USER-DPD/fix_rx.cpp
M		src/USER-DPD/pair_table_rx.cpp
M		src/USER-DPD/pair_table_rx.h
M		src/USER-DRUDE/pair_lj_cut_thole_long.cpp
M		src/USER-MANIFOLD/fix_manifoldforce.cpp
M		src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
M		src/USER-MANIFOLD/manifold.h
M		src/USER-MISC/README
A		src/USER-MISC/pair_momb.cpp
P		src/USER-MISC/pair_momb.h Copied from src/USER-CGDNA/pair_oxdna_excv.h
M		src/USER-NC-DUMP/dump_nc.cpp
M		src/USER-OMP/fix_nh_asphere_omp.cpp
M		src/USER-OMP/fix_nh_omp.cpp
M		src/USER-OMP/fix_nh_sphere_omp.cpp
M		src/USER-OMP/fix_nvt_sllod_omp.cpp
M		src/USER-OMP/pair_airebo_morse_omp.cpp
M		src/USER-OMP/pair_airebo_omp.cpp
M		src/USER-SMTBQ/pair_smtbq.cpp
M		src/atom.cpp
M		src/balance.cpp
M		src/comm.cpp
M		src/comm_tiled.cpp
M		src/compute.cpp
M		src/compute_property_local.cpp
M		src/fix.cpp
M		src/fix.h
M		src/fix_ave_chunk.cpp
M		src/fix_ave_chunk.h
M		src/fix_external.cpp
M		src/fix_external.h
M		src/fix_halt.cpp
P		src/fix_momentum.h Copied to multiple locations: src/USER-CGDNA/pair_oxdna2_excv.h src/USER-CGDNA/pair_oxdna2_stk.h
M		src/fix_nh.cpp
M		src/fix_nh_sphere.cpp
M		src/fix_nh_sphere.h
M		src/fix_nve_sphere.cpp
M		src/fix_nve_sphere.h
M		src/library.cpp
M		src/modify.cpp
M		src/modify.h
M		src/neighbor.cpp
M		src/npair_full_bin_atomonly.cpp
M		src/read_restart.cpp
M		src/region_block.cpp
M		src/set.cpp
M		src/set.h
M		src/special.cpp
M		src/update.cpp
M		src/version.h
M		tools/README
M		tools/binary2txt.cpp
M		tools/colvars/abf_data.cpp
M		tools/colvars/abf_integrate.cpp
D		tools/data2xmovie.c
M		tools/lmp2cfg/README.txt
M		tools/lmp2cfg/examples/dump.atom
M		tools/lmp2cfg/examples/lmp2cfg_inp.txt
M		tools/lmp2cfg/lmp2cfg.f
D		tools/lmp2vmd
D		tools/lmp2vmd/README.txt
M		tools/pymol_asphere/README
M		tools/pymol_asphere/src/Makefile
M		tools/python/README
M		tools/smd/dump2vtk_tris.cpp
D		tools/xmovie
D		tools/xmovie/Makefile
D		tools/xmovie/README
D		tools/xmovie/Xdefaults
D		tools/xmovie/control.c
D		tools/xmovie/dummy.c
D		tools/xmovie/dummy.dat
D		tools/xmovie/hpsort.c
D		tools/xmovie/read.c
D		tools/xmovie/resource.h
D		tools/xmovie/scene.c
D		tools/xmovie/toascii.c
D		tools/xmovie/tobinary.c
D		tools/xmovie/version.c
D		tools/xmovie/xmovie.c
D		tools/xmovie/xmovie.h