Diffusion lammps f4949dccec48

Merge branch 'lammps-icms' into cle-orig
f4949dccec48
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jul 7 2014, 03:57.

Description

Merge branch 'lammps-icms' into cle-orig

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jul 7 2014, 03:57

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS1c6cac8ae570: Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
rLAMMPS86d4432ff882: import colored langevin thermostat package from michele ceriotti

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSf4949dccec48: Merge branch 'lammps-icms' into cle-orig (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jul 7 2014, 03:57

Merged Changes

Commit	Author	Details	Committed
1c6cac8ae570	Axel Kohlmeyer	Merge remote-tracking branch 'lammps-ro/master' into lammps-icms	Jul 7 2014
ff01a109a186	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12171 f3b2605a-c512-4ea7…	Jul 3 2014
a4edae13aeda	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12170 f3b2605a-c512-4ea7…	Jul 3 2014
b5d89cd7689e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12169 f3b2605a-c512-4ea7…	Jul 2 2014
0553f4af2b94	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12168 f3b2605a-c512-4ea7…	Jul 2 2014
a44e538ac67f	Axel Kohlmeyer	transfer changes from upstream to USER-OMP version	Jul 1 2014
29ae4bd8dc3d	Axel Kohlmeyer	Merge remote-tracking branch 'lammps-ro/master' into lammps-icms	Jul 1 2014
74d63800abb6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12164 f3b2605a-c512-4ea7…	Jun 28 2014
dae378a3681b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12163 f3b2605a-c512-4ea7…	Jun 28 2014
a5856e9d3e65	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12162 f3b2605a-c512-4ea7…	Jun 28 2014
5b6c04fd5f32	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12161 f3b2605a-c512-4ea7…	Jun 28 2014
0c68c7f32817	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12160 f3b2605a-c512-4ea7…	Jun 28 2014
c8bbcb34de08	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12159 f3b2605a-c512-4ea7…	Jun 28 2014
f939beaf31cb	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12158 f3b2605a-c512-4ea7…	Jun 28 2014
7872ffe797b1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12157 f3b2605a-c512-4ea7…	Jun 28 2014
a2dfb8421ef0	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12155 f3b2605a-c512-4ea7…	Jun 27 2014
588985586146	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12154 f3b2605a-c512-4ea7…	Jun 27 2014
18e1a56f6ff8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12153 f3b2605a-c512-4ea7…	Jun 27 2014
635d42c51fe6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12152 f3b2605a-c512-4ea7…	Jun 27 2014
3b1a73c3bd83	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12151 f3b2605a-c512-4ea7…	Jun 27 2014
f9e246d0cccd	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12150 f3b2605a-c512-4ea7…	Jun 27 2014
ae2d215b8c58	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12149 f3b2605a-c512-4ea7…	Jun 27 2014
b9531f508f4e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12148 f3b2605a-c512-4ea7…	Jun 27 2014
8a9e1676ebd6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12147 f3b2605a-c512-4ea7…	Jun 27 2014
67ae64329e18	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12146 f3b2605a-c512-4ea7…	Jun 27 2014
f745f24bcd1b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12145 f3b2605a-c512-4ea7…	Jun 27 2014
026ff1f6dd4f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12144 f3b2605a-c512-4ea7…	Jun 27 2014
90e28bec4310	Axel Kohlmeyer	import 2d bugfix from daniel	Jun 25 2014
7ad7147e83ba	Axel Kohlmeyer	mention lack of KOKKOS support	Jun 25 2014
71ed5e51d2f1	Axel Kohlmeyer	disable KOKKOS from pre-compiled packages.	Jun 25 2014
709410d625ba	Axel Kohlmeyer	import the host code for trung's GPU code update	Jun 24 2014
e0d8c669c4bf	Axel Kohlmeyer	adjust code for different neighbor list handling to support intel ocl	Jun 24 2014
4d4647f48711	Axel Kohlmeyer	import library part of trung's update to the GPU package with reinit support	Jun 24 2014
5f768359a740	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12143 f3b2605a-c512-4ea7…	Jun 23 2014
cc1f20727039	athomps	Added OpenMP to red Sky Makefile	Jun 20 2014
8dddba111213	athomps	Pruned unnecessary libraries	Jun 20 2014
0654220deea8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12138 f3b2605a-c512-4ea7…	Jun 14 2014
94be87cf7da7	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12137 f3b2605a-c512-4ea7…	Jun 14 2014
bbcb4b200950	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12136 f3b2605a-c512-4ea7…	Jun 14 2014
1ad73fec90e2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12134 f3b2605a-c512-4ea7…	Jun 14 2014
75a456247d6d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12133 f3b2605a-c512-4ea7…	Jun 14 2014
2ec1442e977b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12132 f3b2605a-c512-4ea7…	Jun 14 2014
7b5846a38615	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12131 f3b2605a-c512-4ea7…	Jun 14 2014
a3d049f1425f	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12130 f3b2605a-c512-4ea7…	Jun 14 2014
319356d89285	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12129 f3b2605a-c512-4ea7…	Jun 14 2014
b8f6904ce368	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12128 f3b2605a-c512-4ea7…	Jun 14 2014
3f98c4d07662	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12127 f3b2605a-c512-4ea7…	Jun 14 2014
a4b442271285	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12126 f3b2605a-c512-4ea7…	Jun 12 2014

Changes (99)

				Path
	M			doc/Manual.html
	M			doc/Manual.txt
	M			doc/Section_commands.html
	M			doc/Section_commands.txt
	M			doc/delete_atoms.html
	M			doc/delete_atoms.txt
	M			doc/dihedral_quadratic.html
	M			doc/dihedral_quadratic.txt
	M			doc/fix_gcmc.html
	M			doc/fix_gcmc.txt
	M			doc/group.html
	M			doc/group.txt
	M			doc/molecule.html
	M			doc/molecule.txt
	M			doc/pair_coul.html
	M			doc/pair_coul.txt
	M			doc/pair_kim.html
	M			doc/pair_kim.txt
	M			doc/units.html
	M			doc/units.txt
	A			examples/kim/log.kim.lj.23Jun14.ubuntu.1
	A			examples/kim/log.kim.lj.23Jun14.ubuntu.4
	A			examples/kim/log.kim.lj.lmp.23Jun14.ubuntu.1
	A			examples/kim/log.kim.lj.lmp.23Jun14.ubuntu.4
	A			lib/gpu/Makefile.linux.single
	M			lib/gpu/Nvidia.makefile
	M			lib/gpu/Opencl.makefile
	M			lib/gpu/lal_born.cpp
	M			lib/gpu/lal_born.h
	M			lib/gpu/lal_born_ext.cpp
	P			lib/gpu/lal_buck.cpp Copied to lib/gpu/lal_coul.cpp
	M			lib/gpu/lal_buck.h
	M			lib/gpu/lal_buck_ext.cpp
	P			lib/gpu/lal_coul.cpp Copied from lib/gpu/lal_buck.cpp
	A			lib/gpu/lal_coul.cu
	P			lib/gpu/lal_coul.h Copied from lib/gpu/lal_coul_long.h
	P			lib/gpu/lal_coul_debye.cpp Copied from lib/gpu/lal_soft.cpp
	A			lib/gpu/lal_coul_debye.cu
	P			lib/gpu/lal_coul_debye.h Copied from lib/gpu/lal_coul_long.h
	A			lib/gpu/lal_coul_debye_ext.cpp
	A			lib/gpu/lal_coul_ext.cpp
	M			lib/gpu/lal_coul_long.cpp
	M			lib/gpu/lal_coul_long.cu
	P			lib/gpu/lal_coul_long.h Copied to multiple locations: lib/gpu/lal_coul.h lib/gpu/lal_coul_debye.h
	M			lib/gpu/lal_coul_long_ext.cpp
	M			lib/gpu/lal_gauss.cpp
	M			lib/gpu/lal_gauss.h
	M			lib/gpu/lal_gauss_ext.cpp
	M			lib/gpu/lal_lj.cpp
	M			lib/gpu/lal_lj.h
	M			lib/gpu/lal_lj_expand.cpp
	M			lib/gpu/lal_lj_expand.h
	M			lib/gpu/lal_lj_expand_ext.cpp
	M			lib/gpu/lal_lj_ext.cpp
	P			lib/gpu/lal_soft.cpp Copied to lib/gpu/lal_coul_debye.cpp
	M			lib/gpu/lal_soft.h
	M			lib/gpu/lal_soft_ext.cpp
	M			lib/reax/Makefile.lammps.ifort
	M			src/GPU/Install.sh
	P			src/GPU/pair_born_gpu.cpp Copied to src/GPU/pair_coul_debye_gpu.cpp
	M			src/GPU/pair_born_gpu.h
	M			src/GPU/pair_buck_gpu.cpp
	P			src/GPU/pair_buck_gpu.h Copied to src/GPU/pair_coul_cut_gpu.h
	P			src/GPU/pair_coul_cut_gpu.cpp Copied from src/GPU/pair_lj_expand_gpu.cpp
	P			src/GPU/pair_coul_cut_gpu.h Copied from src/GPU/pair_buck_gpu.h
	P			src/GPU/pair_coul_debye_gpu.cpp Copied from src/GPU/pair_born_gpu.cpp
	P			src/GPU/pair_coul_debye_gpu.h Copied from src/GPU/pair_soft_gpu.h
	M			src/GPU/pair_coul_long_gpu.cpp
	M			src/GPU/pair_coul_long_gpu.h
	M			src/GPU/pair_gauss_gpu.cpp
	M			src/GPU/pair_gauss_gpu.h
	M			src/GPU/pair_lj_cut_gpu.cpp
	M			src/GPU/pair_lj_cut_gpu.h
	P			src/GPU/pair_lj_expand_gpu.cpp Copied to src/GPU/pair_coul_cut_gpu.cpp
	M			src/GPU/pair_lj_expand_gpu.h
	M			src/GPU/pair_soft_gpu.cpp
	P			src/GPU/pair_soft_gpu.h Copied to src/GPU/pair_coul_debye_gpu.h
	M			src/KIM/pair_kim.cpp
	M			src/MAKE/Makefile.redsky
	M			src/MC/fix_gcmc.cpp
	M			src/MC/fix_gcmc.h
	M			src/SHOCK/fix_wall_piston.cpp
	M			src/USER-MISC/dihedral_quadratic.cpp
	M			src/USER-OMP/dihedral_quadratic_omp.cpp
	M			src/VORONOI/compute_voronoi_atom.cpp
	M			src/comm_tiled.cpp
	M			src/delete_atoms.cpp
	M			src/fix_move.cpp
	M			src/fix_move.h
	M			src/group.cpp
	M			src/group.h
	M			src/pair_coul_debye.cpp
	M			src/version.h
	M			tools/mingw-cross/build-mingw-cross.sh
	M			tools/mingw-cross/windows.html
	M			tools/python/README
	M			tools/rpm/build-rpm-from-git.sh
	M			tools/rpm/index.html
	M			tools/rpm/lammps.spec