Diffusion lammps 2b864c374e7f

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2b864c374e7f
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Authored by W. Michael Brown <brownw@ornl.gov> on Jan 11 2011, 17:07.

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Merge branch 'master' of ssh://yona.ccs.ornl.gov/~/git/lammps

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Committed

W. Michael Brown <brownw@ornl.gov>

Jan 11 2011, 17:07

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS7a89e3a4ceeb: Merge branch 'master' of http://git.icms.temple.edu/lammps-ro
rLAMMPS9d654ca91cb2: Adding support for non-arithmetic mixing to charmm and updating docs and…

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W. Michael Brown <brownw@ornl.gov> committed rLAMMPS2b864c374e7f: Merge branch 'master' of ssh://yona.ccs.ornl.gov/~/git/lammps (authored by W. Michael Brown <brownw@ornl.gov>).Jan 11 2011, 17:07

Merged Changes

Commit	Author	Details	Committed
7a89e3a4ceeb	Mike Brown	Merge branch 'master' of http://git.icms.temple.edu/lammps-ro	Jan 11 2011
09aa3cfd560f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5524 f3b2605a-c512-4ea7…	Jan 11 2011
663cd083d83b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5523 f3b2605a-c512-4ea7…	Jan 11 2011
4558c28bbc44	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5522 f3b2605a-c512-4ea7…	Jan 11 2011
e6e2ac9a3036	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5521 f3b2605a-c512-4ea7…	Jan 11 2011
82ec94916df7	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7…	Jan 11 2011
4bc2d6f33259	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5519 f3b2605a-c512-4ea7…	Jan 10 2011
55990d87cb8b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5517 f3b2605a-c512-4ea7…	Jan 10 2011
4b3b5bb691be	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5516 f3b2605a-c512-4ea7…	Jan 10 2011
dff863f9d370	athomps	Changed to MPI_LONG_LONG	Jan 8 2011
0bc9255821a9	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5511 f3b2605a-c512-4ea7…	Jan 7 2011
9c2137ef5157	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5510 f3b2605a-c512-4ea7…	Jan 7 2011
d30e0f0e5f39	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5508 f3b2605a-c512-4ea7…	Jan 7 2011
f63c616ed121	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5507 f3b2605a-c512-4ea7…	Jan 7 2011
86ed0949f73a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5506 f3b2605a-c512-4ea7…	Jan 7 2011
66f56f982c06	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5505 f3b2605a-c512-4ea7…	Jan 7 2011
140cdf94854f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5504 f3b2605a-c512-4ea7…	Jan 7 2011
beabb5e05ab1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5503 f3b2605a-c512-4ea7…	Jan 7 2011
15c856bcaa10	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5502 f3b2605a-c512-4ea7…	Jan 7 2011
f8296775819c	athomps	Added linkage specifier	Jan 7 2011
01db59bea3e8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5498 f3b2605a-c512-4ea7…	Jan 7 2011
3cd5ef56fce7	athomps	switched timestep variables from double to int	Jan 6 2011

Changes (136)
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				Path
	M			doc/Section_commands.html
	M			doc/Section_howto.html
	M			doc/Section_intro.html
	M			doc/Section_start.html
	M			doc/Section_start.txt
	M			doc/run.html
	M			doc/run.txt
	M			src/ASPHERE/atom_vec_ellipsoid.cpp
	M			src/CLASS2/dihedral_class2.cpp
	M			src/CLASS2/improper_class2.cpp
	M			src/COLLOID/atom_vec_colloid.cpp
	M			src/DIPOLE/atom_vec_dipole.cpp
	M			src/GPU/pair_cg_cmm_coul_long_gpu.cpp
	M			src/GPU/pair_cg_cmm_gpu.cpp
	M			src/GPU/pair_gayberne_gpu.cpp
	M			src/GPU/pair_lj96_cut_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/GRANULAR/atom_vec_granular.cpp
	M			src/GRANULAR/fix_pour.cpp
	M			src/MANYBODY/fix_qeq_comb.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/dihedral_charmm.cpp
	M			src/MOLECULE/dihedral_harmonic.cpp
	M			src/MOLECULE/dihedral_helix.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_umbrella.cpp
	M			src/PERI/atom_vec_peri.cpp
	M			src/PERI/fix_peri_neigh.cpp
	M			src/REAX/fix_reax_bonds.cpp
	M			src/REAX/pair_reax.cpp
	M			src/REAX/pair_reax_fortran.h
	M			src/REPLICA/fix_event.h
	M			src/REPLICA/fix_event_prd.cpp
	M			src/REPLICA/fix_event_prd.h
	M			src/REPLICA/fix_event_tad.cpp
	M			src/REPLICA/fix_event_tad.h
	M			src/REPLICA/neb.cpp
	M			src/REPLICA/prd.cpp
	M			src/REPLICA/tad.cpp
	M			src/REPLICA/temper.cpp
	M			src/SRD/fix_srd.cpp
	M			src/SRD/fix_wall_srd.cpp
	M			src/SRD/fix_wall_srd.h
	M			src/STUBS/mpi.cpp
	M			src/STUBS/mpi.h
	M			src/USER-EFF/Install.sh
	M			src/USER-EFF/atom_vec_electron.cpp
	M			src/USER-IMD/fix_imd.cpp
	M			src/XTC/dump_xtc.cpp
	M			src/XTC/dump_xtc.h
	M			src/atom.h
	M			src/atom_vec_atomic.cpp
	M			src/atom_vec_charge.cpp
	M			src/atom_vec_hybrid.cpp
	M			src/compute.cpp
	M			src/compute.h
	M			src/compute_reduce.cpp
	M			src/create_atoms.cpp
	M			src/delete_atoms.cpp
	M			src/delete_bonds.cpp
	M			src/displace_atoms.cpp
	M			src/displace_box.cpp
	M			src/dump.cpp
	M			src/dump.h
	M			src/dump_atom.cpp
	M			src/dump_atom.h
	M			src/dump_cfg.cpp
	M			src/dump_cfg.h
	M			src/dump_custom.cpp
	M			src/dump_custom.h
	M			src/dump_dcd.cpp
	M			src/dump_dcd.h
	M			src/dump_local.cpp
	M			src/dump_local.h
	M			src/dump_xyz.cpp
	M			src/dump_xyz.h
	M			src/finish.cpp
	M			src/fix.h
	M			src/fix_ave_atom.cpp
	M			src/fix_ave_atom.h
	M			src/fix_ave_correlate.cpp
	M			src/fix_ave_correlate.h
	M			src/fix_ave_histo.cpp
	M			src/fix_ave_histo.h
	M			src/fix_ave_spatial.cpp
	M			src/fix_ave_spatial.h
	M			src/fix_ave_time.cpp
	M			src/fix_ave_time.h
	M			src/fix_deposit.cpp
	M			src/fix_orient_fcc.cpp
	M			src/fix_shake.cpp
	M			src/fix_shake.h
	M			src/fix_tmd.cpp
	M			src/fix_tmd.h
	M			src/fix_ttm.cpp
	M			src/group.cpp
	M			src/integrate.cpp
	M			src/integrate.h
	M			src/lammps.cpp
	M			src/library.cpp
	M			src/lmptype.h
	M			src/min.cpp
	M			src/min.h
	M			src/min_cg.cpp
	M			src/min_fire.cpp
	M			src/min_quickmin.cpp
	M			src/modify.cpp
	M			src/modify.h
	M			src/neigh_bond.cpp
	M			src/output.cpp
	M			src/output.h
	M			src/read_data.cpp
	M			src/read_restart.cpp
	M			src/region.h
	M			src/replicate.cpp
	M			src/respa.cpp
	M			src/thermo.cpp
	M			src/thermo.h
	M			src/update.cpp
	M			src/update.h
	M			src/velocity.cpp
	M			src/verlet.cpp
	M			src/version.h
	M			src/write_restart.cpp
	M			tools/binary2txt.cpp
	M			tools/restart2data.cpp