Diffusion lammps 3f295e5eb5d5

lammps-ro
3f295e5eb5d5
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Authored by Mike Brown <wb8@lens0.ccs.ornl.gov> on Jan 6 2011, 23:04.

Description

Merge branch 'master' of http://git.icms.temple.edu/lammps-ro

Details

Committed

Mike Brown <wb8@lens0.ccs.ornl.gov>

Jan 6 2011, 23:04

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPSa4e7048fdae1: Copying PPPM into PPPM/gpu.
rLAMMPS811d92021f47: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5496 f3b2605a-c512-4ea7…

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Mike Brown <wb8@lens0.ccs.ornl.gov> committed rLAMMPS3f295e5eb5d5: Merge branch 'master' of http://git.icms.temple.edu/lammps-ro (authored by Mike Brown <wb8@lens0.ccs.ornl.gov>).Jan 6 2011, 23:04

Merged Changes

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

Commit	Author	Details	Committed
811d92021f47	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5496 f3b2605a-c512-4ea7…	Jan 6 2011
1db1dd314eee	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5493 f3b2605a-c512-4ea7…	Jan 6 2011
6e1b0799982e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5492 f3b2605a-c512-4ea7…	Jan 6 2011
bb98ae82941e	athomps	Eliminate fix_event override warning	Jan 5 2011
0c112cf3db85	athomps	Tweaked multireplica docs	Jan 5 2011
b3c35f0dcf22	athomps	Removed old printf lines	Jan 5 2011
3366b5b9070d	athomps	Added %lu format strings for natoms	Jan 5 2011
1dcb17a2b2cd	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5487 f3b2605a-c512-4ea7…	Jan 5 2011
c48247fad0a1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5486 f3b2605a-c512-4ea7…	Jan 5 2011
73cdc24a5f74	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5485 f3b2605a-c512-4ea7…	Jan 5 2011
29eaf00e7753	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5481 f3b2605a-c512-4ea7…	Jan 5 2011
953a7bc7eb04	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5480 f3b2605a-c512-4ea7…	Jan 5 2011
b6eb5ae71c53	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5479 f3b2605a-c512-4ea7…	Jan 5 2011
e8ca445bfecd	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5478 f3b2605a-c512-4ea7…	Jan 5 2011
2b8ae7a82feb	athomps	Added tad example	Jan 5 2011
55e8b2bee6cf	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5476 f3b2605a-c512-4ea7…	Jan 5 2011
c69f3aea5756	athomps	Added tad example	Jan 5 2011
4e99c5022e19	athomps	Added tad example	Jan 5 2011
29e25bd1267e	athomps	Added tad example	Jan 5 2011
c9495408a11e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5472 f3b2605a-c512-4ea7…	Jan 4 2011
a7f69eac0c58	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5470 f3b2605a-c512-4ea7…	Jan 4 2011
8d5905c455ac	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5469 f3b2605a-c512-4ea7…	Jan 4 2011
3c17a2703473	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5467 f3b2605a-c512-4ea7…	Jan 4 2011
d3eb3d788756	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5466 f3b2605a-c512-4ea7…	Jan 4 2011
3333f6a924ca	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5465 f3b2605a-c512-4ea7…	Jan 4 2011
b414a4a22a88	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5464 f3b2605a-c512-4ea7…	Jan 4 2011
136fb3b81447	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5462 f3b2605a-c512-4ea7…	Jan 4 2011
a69ca213b6a0	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5461 f3b2605a-c512-4ea7…	Jan 4 2011
dd111e21d2d0	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5460 f3b2605a-c512-4ea7…	Jan 4 2011
027806517749	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5459 f3b2605a-c512-4ea7…	Jan 4 2011
fceac703e533	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5458 f3b2605a-c512-4ea7…	Jan 4 2011
d5aa03447bae	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5457 f3b2605a-c512-4ea7…	Jan 4 2011
f3300e953647	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5455 f3b2605a-c512-4ea7…	Jan 4 2011
80b1bf465217	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5453 f3b2605a-c512-4ea7…	Jan 4 2011
d82f4c346098	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5452 f3b2605a-c512-4ea7…	Jan 4 2011
c0ca611a19e2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5451 f3b2605a-c512-4ea7…	Jan 3 2011
80a03a695f0a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5450 f3b2605a-c512-4ea7…	Jan 3 2011
1e987169f171	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5448 f3b2605a-c512-4ea7…	Jan 3 2011
df61f4f56877	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5447 f3b2605a-c512-4ea7…	Jan 3 2011
435961998564	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5444 f3b2605a-c512-4ea7…	Jan 3 2011
857952521eab	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5443 f3b2605a-c512-4ea7…	Jan 3 2011
7a2ad8387643	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5442 f3b2605a-c512-4ea7…	Jan 3 2011
cf905573f813	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5441 f3b2605a-c512-4ea7…	Jan 3 2011
203b6e32d24a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5440 f3b2605a-c512-4ea7…	Jan 3 2011
d4769d99a324	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5439 f3b2605a-c512-4ea7…	Jan 3 2011
c49be34d064d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5438 f3b2605a-c512-4ea7…	Dec 23 2010
5004f6d79741	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5435 f3b2605a-c512-4ea7…	Dec 23 2010
b145d7f4d632	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5434 f3b2605a-c512-4ea7…	Dec 23 2010
bd1c701a6d10	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5433 f3b2605a-c512-4ea7…	Dec 23 2010
47309e66e6c2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5432 f3b2605a-c512-4ea7…	Dec 23 2010

Changes (122)
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Very Large Commit

This commit is very large. Load each file individually.

		Path
M		doc/Manual.html
M		doc/Manual.txt
M		doc/Section_commands.txt
M		doc/Section_howto.html
M		doc/Section_howto.txt
M		doc/Section_intro.txt
M		doc/compute_event_displace.html
M		doc/compute_event_displace.txt
M		doc/compute_heat_flux.html
M		doc/compute_heat_flux.txt
M		doc/fix_addforce.html
M		doc/fix_addforce.txt
M		doc/fix_thermal_conductivity.html
M		doc/fix_thermal_conductivity.txt
M		doc/minimize.html
M		doc/minimize.txt
M		doc/neb.html
M		doc/neb.txt
M		doc/pair_charmm.html
M		doc/pair_charmm.txt
M		doc/pair_reax_c.html
M		doc/pair_reax_c.txt
M		doc/prd.html
M		doc/prd.txt
A		doc/tad.html
A		doc/tad.txt
M		doc/thermo_modify.html
M		doc/thermo_modify.txt
M		examples/README
M		examples/neb/in.neb.hop1
M		examples/neb/in.neb.hop2
M		examples/prd/README
A	(dir)	examples/tad/
A		examples/tad/README
A		examples/tad/Si.sw
A		examples/tad/in.tad
A		examples/tad/log.tad.0.1Jan11.linux.3
A		examples/tad/log.tad.1.1Jan11.linux.3
A		examples/tad/log.tad.1Jan11.linux.3
A		examples/tad/log.tad.2.1Jan11.linux.3
A		examples/tad/log.tad.neb.1Jan11.linux.3
M		src/KSPACE/pair_lj_charmm_coul_long.cpp
M		src/KSPACE/pppm.cpp
M		src/KSPACE/pppm.h
M		src/MANYBODY/fix_qeq_comb.cpp
M		src/MANYBODY/fix_qeq_comb.h
M		src/MOLECULE/pair_lj_charmm_coul_charmm.cpp
M		src/REPLICA/Install.sh
M		src/REPLICA/compute_event_displace.cpp
M		src/REPLICA/compute_event_displace.h
M		src/REPLICA/fix_event.cpp
P		src/REPLICA/fix_event.h Copied to src/REPLICA/fix_event_prd.h
A		src/REPLICA/fix_event_prd.cpp
P		src/REPLICA/fix_event_prd.h Copied from src/REPLICA/fix_event.h
A		src/REPLICA/fix_event_tad.cpp
P		src/REPLICA/fix_event_tad.h Copied from src/REPLICA/fix_neb.h
M		src/REPLICA/fix_neb.cpp
P		src/REPLICA/fix_neb.h Copied to src/REPLICA/fix_event_tad.h
M		src/REPLICA/neb.cpp
M		src/REPLICA/neb.h
M		src/REPLICA/prd.cpp
M		src/REPLICA/prd.h
A		src/REPLICA/tad.cpp
A		src/REPLICA/tad.h
M		src/SRD/fix_srd.cpp
M		src/STUBS/mpi.cpp
M		src/STUBS/mpi.h
M		src/USER-IMD/fix_imd.cpp
M		src/USER-REAXC/pair_reax_c.cpp
M		src/USER-REAXC/pair_reax_c.h
M		src/atom.cpp
M		src/atom.h
M		src/compute_reduce.cpp
M		src/compute_reduce.h
M		src/compute_reduce_region.cpp
P		src/compute_reduce_region.h Copied to src/lmptype.h
M		src/compute_ti.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_dcd.cpp
M		src/finish.cpp
M		src/fix_addforce.cpp
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_heat.cpp
M		src/fix_momentum.cpp
M		src/fix_orient_fcc.cpp
M		src/fix_recenter.cpp
M		src/group.cpp
M		src/group.h
M		src/lammps.cpp
M		src/library.cpp
P		src/lmptype.h Copied from src/compute_reduce_region.h
M		src/memory.cpp
M		src/min.cpp
M		src/min.h
M		src/min_cg.cpp
M		src/min_fire.cpp
M		src/min_quickmin.cpp
M		src/read_data.cpp
M		src/read_restart.cpp
M		src/read_restart.h
M		src/replicate.cpp
M		src/thermo.cpp
M		src/thermo.h
M		src/velocity.cpp
M		src/version.h
M		src/write_restart.cpp
M		src/write_restart.h
M		tools/restart2data.cpp