Diffusion lammps 3c9fc7d8f777

Merge branch 'openmp-step2' into openmp-master
3c9fc7d8f777
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Sep 19 2011, 17:36.

Description

Merge branch 'openmp-step2' into openmp-master

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Sep 19 2011, 17:36

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS35c8718f3d46: Merge branch 'master' into openmp-step2
rLAMMPSc9c9829345db: Merge branch 'master' into openmp-master

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS3c9fc7d8f777: Merge branch 'openmp-step2' into openmp-master (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Sep 19 2011, 17:36

Merged Changes

Commit	Author	Details	Committed
35c8718f3d46	Axel Kohlmeyer	Merge branch 'master' into openmp-step2	Sep 19 2011
2aa172486222	Axel Kohlmeyer	added eam/alloy/omp and eam/fs/omp	Sep 19 2011
4f9dfb3d4882	Axel Kohlmeyer	added pair style adp/omp	Sep 18 2011
3d3c133ca469	Axel Kohlmeyer	added pair style eim/omp	Sep 18 2011
3a03261f057a	Axel Kohlmeyer	added eam/omp pair style	Sep 18 2011
6eb3b820cb0e	Axel Kohlmeyer	add pair style edip/omp	Sep 17 2011
bbf6bbcd15f1	Axel Kohlmeyer	remove old force reduction	Sep 17 2011
975434fce9c2	Axel Kohlmeyer	replace force reduction with generic reduction.	Sep 17 2011
60b88db87dd2	Axel Kohlmeyer	add more generic version of per-thread data reduce	Sep 17 2011
15349fda8bdd	Axel Kohlmeyer	array dimension bugfix	Sep 17 2011
47089c71d51e	Axel Kohlmeyer	avoid more power function calls. => speeedup	Sep 17 2011
4617c3cebb89	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6988 f3b2605a-c512-4ea7…	Sep 16 2011
3edbd2bd7cda	Axel Kohlmeyer	Merge branch 'master' into openmp-step2	Sep 16 2011
e76730803a3b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6981 f3b2605a-c512-4ea7…	Sep 15 2011
0e8ea8c431f6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6979 f3b2605a-c512-4ea7…	Sep 15 2011
b2d975c1ddc1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6978 f3b2605a-c512-4ea7…	Sep 15 2011
defd9d82a63e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6977 f3b2605a-c512-4ea7…	Sep 15 2011
d72cecf133c3	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6976 f3b2605a-c512-4ea7…	Sep 15 2011
c34d7f6a7dff	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6975 f3b2605a-c512-4ea7…	Sep 15 2011
67a9b06459fa	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6974 f3b2605a-c512-4ea7…	Sep 15 2011
b80670639866	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6972 f3b2605a-c512-4ea7…	Sep 15 2011
0d0bde3e7c45	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6971 f3b2605a-c512-4ea7…	Sep 15 2011
063295ca99c0	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6970 f3b2605a-c512-4ea7…	Sep 14 2011
a5efab930b03	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6969 f3b2605a-c512-4ea7…	Sep 14 2011
1441940ae975	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6968 f3b2605a-c512-4ea7…	Sep 14 2011
5d2178498648	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6966 f3b2605a-c512-4ea7…	Sep 14 2011
426f9027c1e9	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6965 f3b2605a-c512-4ea7…	Sep 14 2011
aa896067951a	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6964 f3b2605a-c512-4ea7…	Sep 14 2011
ef7e03bb4589	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6963 f3b2605a-c512-4ea7…	Sep 14 2011
b73d55178b1d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6961 f3b2605a-c512-4ea7…	Sep 14 2011
1e7562efc28b	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6960 f3b2605a-c512-4ea7…	Sep 14 2011
68006592f7ab	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6959 f3b2605a-c512-4ea7…	Sep 14 2011
9baba531ca03	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6958 f3b2605a-c512-4ea7…	Sep 14 2011
847c1fe6f475	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6954 f3b2605a-c512-4ea7…	Sep 14 2011
1ef85ee3f545	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6953 f3b2605a-c512-4ea7…	Sep 14 2011
e8148d3d86a6	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6951 f3b2605a-c512-4ea7…	Sep 14 2011
45eadfb3f552	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6950 f3b2605a-c512-4ea7…	Sep 14 2011
a24074928b07	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6949 f3b2605a-c512-4ea7…	Sep 14 2011
0f64d1745ff2	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6947 f3b2605a-c512-4ea7…	Sep 14 2011
42da26e3071c	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6946 f3b2605a-c512-4ea7…	Sep 14 2011
dfa59d7cb02d	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6945 f3b2605a-c512-4ea7…	Sep 14 2011
a34506c42008	athomps	Added flag to make only fix_nphug use constant eta_mass	Sep 13 2011
d9a1ca64ffb4	athomps	Added flag to make only fix_nphug use constant eta_mass	Sep 13 2011
9f02b4057ba7	athomps	Added warning about box dimesnions	Sep 13 2011
e51d04c730ea	athomps	Added warning about box dimesnions	Sep 13 2011
37a2780ecdbc	Axel Kohlmeyer	Merge branch 'master' into openmp-step2	Sep 12 2011

Changes (158)

				Path
	A			doc/Eqs/pair_edip.tex
	M			doc/Section_commands.html
	M			doc/Section_commands.txt
	M			doc/Section_intro.html
	M			doc/Section_intro.txt
	M			doc/Section_packages.html
	M			doc/Section_packages.txt
	M			doc/fix.html
	M			doc/fix.txt
	M			doc/fix_ave_atom.html
	M			doc/fix_ave_atom.txt
	M			doc/fix_qeq_reax.html
	M			doc/fix_qeq_reax.txt
	A			doc/pair_edip.html
	A			doc/pair_edip.txt
	M			doc/pair_reax_c.html
	M			doc/pair_reax_c.txt
	M			doc/run.html
	M			doc/run.txt
	M			doc/temper.html
	M			doc/temper.txt
	M			examples/README
	M			lib/cuda/Makefile.common
	M			lib/cuda/Makefile.cudalib
	M			lib/cuda/Makefile.lammps
	A			potentials/Si.edip
	M			src/MANYBODY/pair_adp.h
	M			src/MANYBODY/pair_airebo.cpp
	M			src/MANYBODY/pair_airebo.h
	M			src/MANYBODY/pair_eam.h
	M			src/MANYBODY/pair_eim.h
	M			src/Make.sh
	M			src/SHOCK/fix_nphug.cpp
	M			src/SHOCK/fix_nphug.h
	M			src/USER-ATC/Install.sh
	M			src/USER-CUDA/Install.sh
	M			src/USER-MISC/Install.sh
	M			src/USER-MISC/README
	A			src/USER-MISC/pair_edip.cpp
	A			src/USER-MISC/pair_edip.h
	A			src/USER-OMP/pair_adp_omp.cpp
	A			src/USER-OMP/pair_adp_omp.h
	M			src/USER-OMP/pair_airebo_omp.cpp
	M			src/USER-OMP/pair_born_coul_long_omp.cpp
	M			src/USER-OMP/pair_born_omp.cpp
	M			src/USER-OMP/pair_buck_coul_cut_omp.cpp
	M			src/USER-OMP/pair_buck_coul_long_omp.cpp
	M			src/USER-OMP/pair_buck_coul_omp.cpp
	M			src/USER-OMP/pair_buck_omp.cpp
	M			src/USER-OMP/pair_colloid_omp.cpp
	M			src/USER-OMP/pair_comb_omp.cpp
	M			src/USER-OMP/pair_coul_cut_omp.cpp
	M			src/USER-OMP/pair_coul_debye_omp.cpp
	M			src/USER-OMP/pair_coul_long_omp.cpp
	M			src/USER-OMP/pair_dipole_cut_omp.cpp
	M			src/USER-OMP/pair_dipole_sf_omp.cpp
	M			src/USER-OMP/pair_dpd_omp.cpp
	M			src/USER-OMP/pair_dpd_tstat_omp.cpp
	A			src/USER-OMP/pair_eam_alloy_omp.cpp
	A			src/USER-OMP/pair_eam_alloy_omp.h
	A			src/USER-OMP/pair_eam_fs_omp.cpp
	A			src/USER-OMP/pair_eam_fs_omp.h
	A			src/USER-OMP/pair_eam_omp.cpp
	A			src/USER-OMP/pair_eam_omp.h
	A			src/USER-OMP/pair_edip_omp.cpp
	A			src/USER-OMP/pair_edip_omp.h
	A			src/USER-OMP/pair_eim_omp.cpp
	A			src/USER-OMP/pair_eim_omp.h
	M			src/USER-OMP/pair_gauss_omp.cpp
	M			src/USER-OMP/pair_gayberne_omp.cpp
	M			src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
	M			src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
	M			src/USER-OMP/pair_lj96_cut_omp.cpp
	M			src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
	M			src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
	M			src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
	M			src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
	M			src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
	M			src/USER-OMP/pair_lj_class2_omp.cpp
	M			src/USER-OMP/pair_lj_coul_omp.cpp
	M			src/USER-OMP/pair_lj_cubic_omp.cpp
	M			src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
	M			src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
	M			src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
	M			src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.cpp
	M			src/USER-OMP/pair_lj_cut_omp.cpp
	M			src/USER-OMP/pair_lj_expand_omp.cpp
	M			src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
	M			src/USER-OMP/pair_lj_gromacs_omp.cpp
	M			src/USER-OMP/pair_lj_sf_omp.cpp
	M			src/USER-OMP/pair_lj_smooth_omp.cpp
	M			src/USER-OMP/pair_lubricate_omp.cpp
	M			src/USER-OMP/pair_morse_omp.cpp
	M			src/USER-OMP/pair_resquared_omp.cpp
	M			src/USER-OMP/pair_soft_omp.cpp
	M			src/USER-OMP/pair_sw_omp.cpp
	M			src/USER-OMP/pair_table_omp.cpp
	M			src/USER-OMP/pair_tersoff_omp.cpp
	M			src/USER-OMP/pair_yukawa_colloid_omp.cpp
	M			src/USER-OMP/pair_yukawa_omp.cpp
	M			src/USER-OMP/thr_omp.cpp
	M			src/USER-OMP/thr_omp.h
	M			src/USER-REAXC/README
	M			src/USER-REAXC/fix_qeq_reax.cpp
	M			src/USER-REAXC/fix_qeq_reax.h
	M			src/USER-REAXC/fix_reax_c.cpp
	M			src/USER-REAXC/fix_reax_c.h
	M			src/USER-REAXC/pair_reax_c.cpp
	M			src/USER-REAXC/pair_reax_c.h
	M			src/USER-REAXC/reaxc_allocate.cpp
	M			src/USER-REAXC/reaxc_allocate.h
	M			src/USER-REAXC/reaxc_basic_comm.cpp
	M			src/USER-REAXC/reaxc_basic_comm.h
	M			src/USER-REAXC/reaxc_bond_orders.cpp
	M			src/USER-REAXC/reaxc_bond_orders.h
	M			src/USER-REAXC/reaxc_bonds.cpp
	M			src/USER-REAXC/reaxc_bonds.h
	M			src/USER-REAXC/reaxc_control.cpp
	M			src/USER-REAXC/reaxc_control.h
	M			src/USER-REAXC/reaxc_defs.h
	M			src/USER-REAXC/reaxc_ffield.cpp
	M			src/USER-REAXC/reaxc_ffield.h
	M			src/USER-REAXC/reaxc_forces.cpp
	M			src/USER-REAXC/reaxc_forces.h
	M			src/USER-REAXC/reaxc_hydrogen_bonds.cpp
	M			src/USER-REAXC/reaxc_hydrogen_bonds.h
	M			src/USER-REAXC/reaxc_init_md.cpp
	M			src/USER-REAXC/reaxc_init_md.h
	M			src/USER-REAXC/reaxc_io_tools.cpp
	M			src/USER-REAXC/reaxc_io_tools.h
	M			src/USER-REAXC/reaxc_list.cpp
	M			src/USER-REAXC/reaxc_list.h
	M			src/USER-REAXC/reaxc_lookup.cpp
	M			src/USER-REAXC/reaxc_lookup.h
	M			src/USER-REAXC/reaxc_multi_body.cpp
	M			src/USER-REAXC/reaxc_multi_body.h
	M			src/USER-REAXC/reaxc_nonbonded.cpp
	M			src/USER-REAXC/reaxc_nonbonded.h
	M			src/USER-REAXC/reaxc_reset_tools.cpp
	M			src/USER-REAXC/reaxc_reset_tools.h
	M			src/USER-REAXC/reaxc_system_props.cpp
	M			src/USER-REAXC/reaxc_system_props.h
	M			src/USER-REAXC/reaxc_tool_box.cpp
	M			src/USER-REAXC/reaxc_tool_box.h
	M			src/USER-REAXC/reaxc_torsion_angles.cpp
	M			src/USER-REAXC/reaxc_torsion_angles.h
	M			src/USER-REAXC/reaxc_traj.cpp
	M			src/USER-REAXC/reaxc_traj.h
	M			src/USER-REAXC/reaxc_types.h
	M			src/USER-REAXC/reaxc_valence_angles.cpp
	M			src/USER-REAXC/reaxc_valence_angles.h
	M			src/USER-REAXC/reaxc_vector.cpp
	M			src/USER-REAXC/reaxc_vector.h
	M			src/fix_evaporate.cpp
	M			src/fix_nh.cpp
	M			src/fix_nh.h
	M			src/version.h
	M			tools/restart2data.cpp