Diffusion lammps b956107fc6f1

Merge branch 'master' into lammps-icms
b956107fc6f1
Actions

Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 3 2010, 22:52.

Description

Merge branch 'master' into lammps-icms

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 3 2010, 22:52

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS21d6379e27e4: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4951 f3b2605a-c512-4ea7…
rLAMMPSb275c7d0efb6: Merge branch 'master' into lammps-icms

Branches

Unknown

Tags

Unknown

Event Timeline

Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSb956107fc6f1: Merge branch 'master' into lammps-icms (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 3 2010, 22:52

Merged Changes

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

Commit	Author	Details	Committed
21d6379e27e4	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4951 f3b2605a-c512-4ea7…	Oct 2 2010
1f1d0423438e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4948 f3b2605a-c512-4ea7…	Oct 2 2010
f4f63949b6b3	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4941 f3b2605a-c512-4ea7…	Oct 1 2010
39443ba45c37	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4940 f3b2605a-c512-4ea7…	Oct 1 2010
fa061589994f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4939 f3b2605a-c512-4ea7…	Oct 1 2010
80294e4490a5	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4937 f3b2605a-c512-4ea7…	Oct 1 2010
89e4db00f265	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4935 f3b2605a-c512-4ea7…	Oct 1 2010
e915461c5fda	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4934 f3b2605a-c512-4ea7…	Oct 1 2010
d757f67a85b9	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4933 f3b2605a-c512-4ea7…	Oct 1 2010
d5ed648cb7d7	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4930 f3b2605a-c512-4ea7…	Oct 1 2010
ca2138f74226	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4928 f3b2605a-c512-4ea7…	Oct 1 2010
abb9e1c963a3	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4927 f3b2605a-c512-4ea7…	Oct 1 2010
d514f55bb690	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4926 f3b2605a-c512-4ea7…	Oct 1 2010
df2a7cf012b9	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4923 f3b2605a-c512-4ea7…	Oct 1 2010
f5b957c85ad4	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4922 f3b2605a-c512-4ea7…	Oct 1 2010
083aebc78558	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4921 f3b2605a-c512-4ea7…	Oct 1 2010
a71eb75caaba	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4920 f3b2605a-c512-4ea7…	Oct 1 2010
b2e57ae8867e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4919 f3b2605a-c512-4ea7…	Oct 1 2010
2c7f136bfcaf	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4918 f3b2605a-c512-4ea7…	Oct 1 2010
e300e7b7b0fa	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4917 f3b2605a-c512-4ea7…	Oct 1 2010
f248ae9071a3	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4916 f3b2605a-c512-4ea7…	Oct 1 2010
f97280116a8e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4915 f3b2605a-c512-4ea7…	Oct 1 2010
653d41ec754c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4914 f3b2605a-c512-4ea7…	Sep 30 2010
0d0fd0afac96	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4913 f3b2605a-c512-4ea7…	Sep 30 2010
b0e977754454	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4912 f3b2605a-c512-4ea7…	Sep 30 2010
743cefce1415	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4910 f3b2605a-c512-4ea7…	Sep 30 2010
e97c60709794	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4907 f3b2605a-c512-4ea7…	Sep 30 2010
c40b3cb2a8cd	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4906 f3b2605a-c512-4ea7…	Sep 30 2010
2e730cfbad80	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4905 f3b2605a-c512-4ea7…	Sep 30 2010
60df73893fd4	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4904 f3b2605a-c512-4ea7…	Sep 30 2010
5a5b74f63150	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4903 f3b2605a-c512-4ea7…	Sep 30 2010
b843a426d30d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4892 f3b2605a-c512-4ea7…	Sep 30 2010
ce6b3e2c9382	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4889 f3b2605a-c512-4ea7…	Sep 30 2010
7e51f7cb0c57	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4888 f3b2605a-c512-4ea7…	Sep 30 2010
5af333b06ec5	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4870 f3b2605a-c512-4ea7…	Sep 27 2010
35e70759fc3b	athomps	Fixed missing arg in srtbon1 declaration	Sep 27 2010
2748c92014d2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4868 f3b2605a-c512-4ea7…	Sep 27 2010
b57959fe8a39	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4867 f3b2605a-c512-4ea7…	Sep 27 2010
d7985417727a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4865 f3b2605a-c512-4ea7…	Sep 27 2010
cffe7605c947	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4864 f3b2605a-c512-4ea7…	Sep 27 2010
c15dcd0c02d2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4863 f3b2605a-c512-4ea7…	Sep 27 2010
753f2fed9fe7	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4861 f3b2605a-c512-4ea7…	Sep 27 2010
37ed464f3da9	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4860 f3b2605a-c512-4ea7…	Sep 27 2010
c1b687c17d26	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4859 f3b2605a-c512-4ea7…	Sep 27 2010
f3c76494deba	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4858 f3b2605a-c512-4ea7…	Sep 27 2010
d2ffab65cef3	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4856 f3b2605a-c512-4ea7…	Sep 27 2010
28311bc69e14	athomps	Added hbnewflag argument to pair_style reax	Sep 25 2010
0f9ba37ca6d7	athomps	Added hbnewflag argument to pair_style reax	Sep 25 2010
68a5dad07d73	athomps	Added hbnewflag argument to pair_style reax	Sep 25 2010
38867b49df53	athomps	Added hbnewflag argument to pair_style reax	Sep 25 2010

Changes (233)
Show All Changes

Very Large Commit

This commit is very large. Load each file individually.

		Path
M		README
A	(dir)	couple/
A		couple/README
A	(dir)	couple/lammps_quest/
A		couple/lammps_quest/Makefile.g++
A		couple/lammps_quest/README
A		couple/lammps_quest/in.lammps
A		couple/lammps_quest/lmppath.h
A		couple/lammps_quest/lmpqst.cpp
A		couple/lammps_quest/log.lammps.1
A		couple/lammps_quest/log.lammps.4
A		couple/lammps_quest/qstexe.h
A		couple/lammps_quest/si_111.in
A	(dir)	couple/lammps_spparks/
A		couple/lammps_spparks/Makefile.g++
A		couple/lammps_spparks/README
A		couple/lammps_spparks/image.lammps.1.png
A		couple/lammps_spparks/image.lammps.10.png
A		couple/lammps_spparks/image.lammps.20.png
A		couple/lammps_spparks/image.spparks.1.png
A		couple/lammps_spparks/image.spparks.10.png
A		couple/lammps_spparks/image.spparks.20.png
A		couple/lammps_spparks/in.spparks
A		couple/lammps_spparks/lmppath.h
A		couple/lammps_spparks/lmpspk.cpp
A		couple/lammps_spparks/log.lammps.1
A		couple/lammps_spparks/log.lammps.4
A		couple/lammps_spparks/log.spparks.1
A		couple/lammps_spparks/log.spparks.4
A		couple/lammps_spparks/spkpath.h
A	(dir)	couple/library/
A		couple/library/Makefile.g++
A		couple/library/README
A		couple/library/error.cpp
A		couple/library/error.h
A		couple/library/files.cpp
A		couple/library/files.h
A		couple/library/irregular.cpp
A		couple/library/irregular.h
A		couple/library/lammps_data_write.cpp
A		couple/library/lammps_data_write.h
A		couple/library/many2many.cpp
A		couple/library/many2many.h
A		couple/library/many2one.cpp
A		couple/library/many2one.h
A		couple/library/memory.cpp
A		couple/library/memory.h
A		couple/library/one2many.cpp
A		couple/library/one2many.h
A		couple/library/send2one.cpp
A		couple/library/send2one.h
A	(dir)	couple/simple/
V		{couple/simple ← examples/COUPLE}/README
V		{couple/simple ← examples/COUPLE}/in.lj
A		couple/simple/log.simple.c++.1
A		couple/simple/log.simple.c++.4
V		{couple/simple/simple.c ← examples/COUPLE/c_driver.c}
V		{couple/simple/simple.cpp ← examples/COUPLE/c++_driver.cpp}
M		doc/Manual.html
M		doc/Manual.pdf
M		doc/Manual.txt
M		doc/Section_commands.html
M		doc/Section_commands.txt
M		doc/Section_errors.html
M		doc/Section_errors.txt
M		doc/Section_example.html
M		doc/Section_example.txt
M		doc/Section_howto.html
M		doc/Section_howto.txt
M		doc/Section_intro.html
M		doc/Section_intro.txt
M		doc/Section_start.html
M		doc/Section_start.txt
M		doc/Section_tools.html
M		doc/Section_tools.txt
M		doc/compute_event_displace.html
M		doc/compute_event_displace.txt
M		doc/dump.html
M		doc/dump.txt
M		doc/dump_modify.html
M		doc/dump_modify.txt
M		doc/fix.html
M		doc/fix.txt
M		doc/fix_ave_correlate.html
M		doc/fix_ave_correlate.txt
M		doc/fix_bond_break.html
M		doc/fix_bond_break.txt
M		doc/fix_bond_create.html
M		doc/fix_bond_create.txt
A		doc/fix_external.html
A		doc/fix_external.txt
A		doc/fix_neb.html
A		doc/fix_neb.txt
A		doc/fix_srd.html
A		doc/fix_srd.txt
M		doc/jump.html
M		doc/jump.txt
M		doc/min_modify.html
M		doc/min_modify.txt
M		doc/min_style.html
M		doc/min_style.txt
M		doc/minimize.html
M		doc/minimize.txt
A		doc/neb.html
A		doc/neb.txt
M		doc/pair_comb.html
M		doc/pair_comb.txt
M		doc/pair_reax.html
M		doc/pair_reax.txt
M		doc/prd.html
M		doc/prd.txt
M		doc/temper.html
M		doc/temper.txt
M		doc/units.html
M		doc/units.txt
D		examples/COUPLE
V		{examples/COUPLE → couple/simple}/README
V		{examples/COUPLE/c++_driver.cpp → couple/simple/simple.cpp}
V		{examples/COUPLE/c_driver.c → couple/simple/simple.c}
V		{examples/COUPLE → couple/simple}/in.lj
M		examples/README
M		examples/flow/in.flow.couette
V		examples/flow/{in.flow.pois ← in.flow.poiss}
V		examples/flow/{in.flow.poiss → in.flow.pois}
V		examples/flow/{log.flow.pois.10Sep10.linux.1 ← log.flow.poiss.10Sep10.linux.1}
V		examples/flow/{log.flow.pois.10Sep10.linux.4 ← log.flow.poiss.10Sep10.linux.4}
V		examples/flow/{log.flow.poiss.10Sep10.linux.1 → log.flow.pois.10Sep10.linux.1}
V		examples/flow/{log.flow.poiss.10Sep10.linux.4 → log.flow.pois.10Sep10.linux.4}
A	(dir)	examples/neb/
A		examples/neb/README
A		examples/neb/final.hop1
A		examples/neb/final.hop2
A		examples/neb/in.neb.hop1
A		examples/neb/in.neb.hop2
A		examples/neb/log.neb.hop1.10Sep10.linux.4
A		examples/neb/log.neb.hop2.10Sep10.linux.4
A	(dir)	examples/srd/
A		examples/srd/in.srd.mixture
A		examples/srd/in.srd.pure
A		examples/srd/log.srd.mixture.10Sep10.linux.1
A		examples/srd/log.srd.mixture.10Sep10.linux.4
A		examples/srd/log.srd.pure.10Sep10.linux.1
A		examples/srd/log.srd.pure.10Sep10.linux.4
M		lib/reax/cbksrthb.blk
M		lib/reax/reax_connect.F
M		lib/reax/reax_poten.F
M		src/GRANULAR/atom_vec_granular.cpp
M		src/MANYBODY/pair_airebo.cpp
M		src/Makefile
M		src/Makefile.lib
D		src/PRD
V		src/{PRD → REPLICA}/Install.sh
V		src/{PRD → REPLICA}/compute_event_displace.cpp
V		src/{PRD → REPLICA}/compute_event_displace.h
V		src/{PRD → REPLICA}/fix_event.cpp
V		src/{PRD → REPLICA}/fix_event.h
V		src/{PRD → REPLICA}/prd.cpp
V		src/{PRD → REPLICA}/prd.h
M		src/REAX/pair_reax.cpp
M		src/REAX/pair_reax.h
M		src/REAX/pair_reax_fortran.h
A	(dir)	src/REPLICA/
V		src/{REPLICA ← PRD}/Install.sh
V		src/{REPLICA ← PRD}/compute_event_displace.cpp
V		src/{REPLICA ← PRD}/compute_event_displace.h
V		src/{REPLICA ← PRD}/fix_event.cpp
V		src/{REPLICA ← PRD}/fix_event.h
A		src/REPLICA/fix_neb.cpp
P		src/REPLICA/fix_neb.h Copied from src/fix_efield.h
A		src/REPLICA/neb.cpp
P		src/REPLICA/neb.h Copied from src/dump_dcd.h
V		src/{REPLICA ← PRD}/prd.cpp
V		src/{REPLICA ← PRD}/prd.h
V		src/{REPLICA ← }/temper.cpp
V		src/{REPLICA ← }/temper.h
A	(dir)	src/SRD/
A		src/SRD/Install.sh
A		src/SRD/fix_srd.cpp
A		src/SRD/fix_srd.h
M		src/USER-EFF/compute_temp_deform_eff.cpp
M		src/XTC/dump_xtc.cpp
M		src/XTC/dump_xtc.h
M		src/atom.cpp
M		src/comm.h
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
P		src/dump_dcd.h Copied to src/REPLICA/neb.h
M		src/dump_local.cpp
M		src/dump_local.h
M		src/dump_xyz.cpp
P		src/dump_xyz.h Copied to multiple locations: src/min_fire.h src/min_quickmin.h
M		src/fix_efield.cpp
P		src/fix_efield.h Copied to multiple locations: src/REPLICA/fix_neb.h src/fix_external.h
A		src/fix_external.cpp
P		src/fix_external.h Copied from src/fix_efield.h
M		src/fix_langevin.cpp
M		src/fix_nve.cpp
M		src/fix_shake.cpp
M		src/input.cpp
M		src/irregular.cpp
M		src/irregular.h
M		src/min.cpp
M		src/min.h
A		src/min_fire.cpp
P		src/min_fire.h Copied from src/dump_xyz.h
M		src/min_hftn.cpp
M		src/min_linesearch.cpp
A		src/min_quickmin.cpp
P		src/min_quickmin.h Copied from src/dump_xyz.h
M		src/minimize.cpp
M		src/region.cpp
V		src/{ → REPLICA}/temper.cpp
V		src/{ → REPLICA}/temper.h
M		src/update.cpp
M		src/update.h
M		src/version.h
M		tools/eff/structure_generators/Be-solid.pl
M		tools/eff/structure_generators/Diamond.pl
M		tools/eff/structure_generators/Li-hydride.pl
M		tools/eff/structure_generators/Li-solid.pl
M		tools/eff/structure_generators/Uniform-electron-gas.pl
M		tools/eff/structure_generators/h2.pl
A		tools/python/neb1.py
A		tools/python/neb2.py
M		tools/python/pizza/dump.py
M		tools/restart2data.cpp