Diffusion lammps 51e8c7092b58

Merge branch 'lammps-icms' into lammps-colvars
51e8c7092b58
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 29 2012, 11:19.

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Merge branch 'lammps-icms' into lammps-colvars

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Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 29 2012, 11:19

Pushed

junge

Oct 6 2016, 16:49

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rLAMMPS399871b63a07: Merge branch 'master' into lammps-icms
rLAMMPS20716fd23701: Merge branch 'lammps-icms' into lammps-colvars

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS51e8c7092b58: Merge branch 'lammps-icms' into lammps-colvars (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 29 2012, 11:19

Merged Changes

Commit	Author	Details	Committed
399871b63a07	Axel Kohlmeyer	Merge branch 'master' into lammps-icms	Oct 27 2012
5570ba95f5ce	Axel Kohlmeyer	remove duplicate code left over from steve messing with it	Oct 27 2012
5a541a44fd47	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9030 f3b2605a-c512-4ea7…	Oct 27 2012
f4d79c69aadf	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9028 f3b2605a-c512-4ea7…	Oct 27 2012
fbc3f58a054a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9027 f3b2605a-c512-4ea7…	Oct 27 2012
e56f184f27ca	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9026 f3b2605a-c512-4ea7…	Oct 27 2012
ae7c07935192	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9025 f3b2605a-c512-4ea7…	Oct 27 2012
f58dcbe18c75	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9024 f3b2605a-c512-4ea7…	Oct 27 2012
35a5e6fdc18f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9023 f3b2605a-c512-4ea7…	Oct 27 2012
299769a3e68d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9022 f3b2605a-c512-4ea7…	Oct 27 2012
cfcf3b5bcf17	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9021 f3b2605a-c512-4ea7…	Oct 27 2012
547a7df9372b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9019 f3b2605a-c512-4ea7…	Oct 27 2012
f0d0349d2d41	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9016 f3b2605a-c512-4ea7…	Oct 27 2012
824216e0948c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9015 f3b2605a-c512-4ea7…	Oct 27 2012
b6e5ec143f67	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9014 f3b2605a-c512-4ea7…	Oct 27 2012
8bd8b77489bd	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9013 f3b2605a-c512-4ea7…	Oct 27 2012
5a75a6c82772	Axel Kohlmeyer	Merge branch 'master' into lammps-icms	Oct 26 2012
8663c9229319	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9012 f3b2605a-c512-4ea7…	Oct 25 2012
7d1c3ed324c0	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9010 f3b2605a-c512-4ea7…	Oct 25 2012
dba890a5afae	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9009 f3b2605a-c512-4ea7…	Oct 25 2012
e9fa893b1c97	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9008 f3b2605a-c512-4ea7…	Oct 25 2012
43b161eb3398	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9007 f3b2605a-c512-4ea7…	Oct 25 2012
6f4bba7edf24	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9006 f3b2605a-c512-4ea7…	Oct 25 2012
cb9d45386c19	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9004 f3b2605a-c512-4ea7…	Oct 25 2012
ccbe10ff39d6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9003 f3b2605a-c512-4ea7…	Oct 25 2012
6dcb5fb23d35	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9002 f3b2605a-c512-4ea7…	Oct 25 2012
13dd457ae76f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9001 f3b2605a-c512-4ea7…	Oct 25 2012
e2283d16092b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9000 f3b2605a-c512-4ea7…	Oct 25 2012
f865058700c8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8999 f3b2605a-c512-4ea7…	Oct 25 2012

Changes (102)
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		Path
A		doc/Eqs/angle_fourier.jpg
A		doc/Eqs/angle_fourier.tex
A		doc/Eqs/angle_fourier_simple.jpg
A		doc/Eqs/angle_fourier_simple.tex
A		doc/Eqs/angle_quartic.jpg
A		doc/Eqs/angle_quartic.tex
A		doc/Eqs/dihedral_fourier.jpg
A		doc/Eqs/dihedral_fourier.tex
A		doc/Eqs/dihedral_nharmonic.jpg
A		doc/Eqs/dihedral_nharmonic.tex
A		doc/Eqs/dihedral_quadratic.jpg
A		doc/Eqs/dihedral_quadratic.tex
A		doc/Eqs/improper_fourier.jpg
A		doc/Eqs/improper_fourier.tex
A		doc/Eqs/pair_meam_sw_spline.jpg
A		doc/Eqs/pair_tersoff.jpg
M		doc/Section_commands.html
M		doc/Section_commands.txt
A		doc/angle_fourier.html
A		doc/angle_fourier.txt
A		doc/angle_fourier_simple.html
A		doc/angle_fourier_simple.txt
A		doc/angle_quartic.html
A		doc/angle_quartic.txt
A		doc/dihedral_fourier.html
A		doc/dihedral_fourier.txt
A		doc/dihedral_nharmonic.html
A		doc/dihedral_nharmonic.txt
A		doc/dihedral_quadratic.html
A		doc/dihedral_quadratic.txt
A		doc/improper_fourier.html
A		doc/improper_fourier.txt
A		doc/pair_meam_sw_spline.html
A		doc/pair_meam_sw_spline.txt
M		examples/COUPLE/README
M		examples/COUPLE/fortran2/LAMMPS.F90
M		examples/COUPLE/fortran2/README
M		examples/COUPLE/fortran2/in.simple
M		examples/COUPLE/fortran2/simple.f90
A	(dir)	examples/USER/misc/
A	(dir)	examples/USER/misc/meam_sw_spline/
A	(dir)	examples/USER/misc/meam_sw_spline/Si/
A		examples/USER/misc/meam_sw_spline/Si/bcc.in
A		examples/USER/misc/meam_sw_spline/Si/bcc_relax.in
A		examples/USER/misc/meam_sw_spline/Si/dc.in
A		examples/USER/misc/meam_sw_spline/Si/dc_relax.in
A		examples/USER/misc/meam_sw_spline/Si/energy_conservation.meam.sw.in
A		examples/USER/misc/meam_sw_spline/Si/fcc.in
A		examples/USER/misc/meam_sw_spline/Si/fcc_relax.in
A		examples/USER/misc/meam_sw_spline/Si/hcp_relax.in
A		examples/USER/misc/meam_sw_spline/Si/sc.in
A		examples/USER/misc/meam_sw_spline/Si/sc_relax.in
A		examples/USER/misc/meam_sw_spline/Si/single_atom.in
A	(dir)	examples/USER/misc/meam_sw_spline/Ti/
A		examples/USER/misc/meam_sw_spline/Ti/alpha.in
A		examples/USER/misc/meam_sw_spline/Ti/alpha_relaxation.in
A		examples/USER/misc/meam_sw_spline/Ti/beta.in
A		examples/USER/misc/meam_sw_spline/Ti/energy_conservation.meam.sw.in
A		examples/USER/misc/meam_sw_spline/Ti/fcc.in
A		examples/USER/misc/meam_sw_spline/Ti/hexagonal.in
A		examples/USER/misc/meam_sw_spline/Ti/omega.in
A		examples/USER/misc/meam_sw_spline/Ti/single_atom.in
A		potentials/Si.b.meam.sw.spline
A		potentials/Ti.meam.sw.spline
M		python/README
M		python/examples/demo.py
M		python/lammps.py
M		src/Makefile.shlib
M		src/REPLICA/verlet_split.cpp
M		src/RIGID/fix_rigid.cpp
M		src/USER-MISC/Install.sh
M		src/USER-MISC/README
A		src/USER-MISC/angle_fourier.cpp
A		src/USER-MISC/angle_fourier.h
A		src/USER-MISC/angle_fourier_simple.cpp
A		src/USER-MISC/angle_fourier_simple.h
A		src/USER-MISC/angle_quartic.cpp
A		src/USER-MISC/angle_quartic.h
M		src/USER-MISC/compute_temp_rotate.cpp
A		src/USER-MISC/dihedral_fourier.cpp
A		src/USER-MISC/dihedral_fourier.h
A		src/USER-MISC/dihedral_nharmonic.cpp
A		src/USER-MISC/dihedral_nharmonic.h
A		src/USER-MISC/dihedral_quadratic.cpp
A		src/USER-MISC/dihedral_quadratic.h
M		src/USER-MISC/fix_addtorque.cpp
A		src/USER-MISC/improper_fourier.cpp
A		src/USER-MISC/improper_fourier.h
A		src/USER-MISC/pair_meam_sw_spline.cpp
A		src/USER-MISC/pair_meam_sw_spline.h
M		src/compute_com_molecule.cpp
M		src/compute_gyration.cpp
M		src/compute_gyration_molecule.cpp
M		src/compute_msd_molecule.cpp
M		src/fix_addforce.cpp
M		src/fix_momentum.cpp
M		src/fix_spring_rg.cpp
M		src/fix_spring_self.cpp
M		src/fix_tmd.cpp
M		src/group.cpp
M		src/velocity.cpp
M		src/version.h