Diffusion lammps 60ef6bdbe564

Merge branch 'master' into neighbor-omp
60ef6bdbe564
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 21 2011, 18:59.

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Merge branch 'master' into neighbor-omp

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Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 21 2011, 18:59

Pushed

junge

Oct 6 2016, 16:49

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rLAMMPS681757509570: test for OpenMP neighbor list only
rLAMMPSd2a730bc4031: git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7071 f3b2605a-c512-4ea7…

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPS60ef6bdbe564: Merge branch 'master' into neighbor-omp (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 21 2011, 18:59

Merged Changes

Commit	Author	Details	Committed
d2a730bc4031	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7071 f3b2605a-c512-4ea7…	Oct 10 2011
850a3cf8a4de	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7069 f3b2605a-c512-4ea7…	Oct 10 2011
49573998e714	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7068 f3b2605a-c512-4ea7…	Oct 10 2011
855e2aa3538e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7067 f3b2605a-c512-4ea7…	Oct 10 2011
90a5d2b322bf	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7066 f3b2605a-c512-4ea7…	Oct 10 2011
e6a0e39b5070	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7065 f3b2605a-c512-4ea7…	Oct 10 2011
2e2abb3a7271	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7063 f3b2605a-c512-4ea7…	Oct 10 2011
789f069c2bc8	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7062 f3b2605a-c512-4ea7…	Oct 10 2011
6d849fea0e36	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7061 f3b2605a-c512-4ea7…	Oct 10 2011
76da1a753ba1	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7059 f3b2605a-c512-4ea7…	Oct 10 2011
6a2a96053c40	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7058 f3b2605a-c512-4ea7…	Oct 10 2011
c1bfbd8e6165	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7057 f3b2605a-c512-4ea7…	Oct 10 2011
2182b0443bba	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7049 f3b2605a-c512-4ea7…	Oct 8 2011
4591d9958dbb	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7048 f3b2605a-c512-4ea7…	Oct 8 2011
c8fa1bd5df84	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7047 f3b2605a-c512-4ea7…	Oct 8 2011
504227e2e602	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7046 f3b2605a-c512-4ea7…	Oct 8 2011
3e908537397e	sjplimp	git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7045 f3b2605a-c512-4ea7…	Oct 8 2011

Changes (174)
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		Path
M		doc/Section_start.html
M		doc/Section_start.txt
M		examples/README
A	(dir)	examples/dreiding/
A		examples/dreiding/README
A		examples/dreiding/ch3oh.box.dreiding.bgf
A		examples/dreiding/ch3oh.box.dreiding.cerius2.eng.dat
A		examples/dreiding/data.dreiding
A		examples/dreiding/in.dreiding
A		examples/dreiding/log.dreiding.11Oct11.linux.1
A		examples/dreiding/log.dreiding.11Oct11.linux.4
M		lib/cuda/Makefile.defaults
M		lib/cuda/Makefile.lammps
M		lib/gpu/Makefile.linux
M		src/KSPACE/pppm.cpp
M		src/KSPACE/pppm.h
M		src/KSPACE/pppm_cg.cpp
M		src/MAKE/Makefile.g++
M		src/MAKE/Makefile.serial
M		src/MANYBODY/pair_comb.cpp
M		src/MANYBODY/pair_comb.h
M		src/MANYBODY/pair_tersoff.cpp
M		src/MANYBODY/pair_tersoff.h
P		src/MANYBODY/pair_tersoff_zbl.cpp Copied to src/USER-OMP/pair_tersoff_zbl_omp.cpp
M		src/MOLECULE/pair_hbond_dreiding_lj.cpp
M		src/MOLECULE/pair_hbond_dreiding_morse.cpp
M		src/USER-EWALDN/math_vector.h
M		src/USER-OMP/Install.sh
M		src/USER-OMP/Package.sh
A		src/USER-OMP/README
A		src/USER-OMP/dihedral_charmm_omp.cpp
A		src/USER-OMP/dihedral_charmm_omp.h
A		src/USER-OMP/dihedral_class2_omp.cpp
A		src/USER-OMP/dihedral_class2_omp.h
A		src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
A		src/USER-OMP/dihedral_cosine_shift_exp_omp.h
A		src/USER-OMP/dihedral_harmonic_omp.cpp
A		src/USER-OMP/dihedral_harmonic_omp.h
A		src/USER-OMP/dihedral_helix_omp.cpp
A		src/USER-OMP/dihedral_helix_omp.h
A		src/USER-OMP/dihedral_multi_harmonic_omp.cpp
A		src/USER-OMP/dihedral_multi_harmonic_omp.h
A		src/USER-OMP/dihedral_opls_omp.cpp
A		src/USER-OMP/dihedral_opls_omp.h
A		src/USER-OMP/fix_gravity_omp.cpp
A		src/USER-OMP/fix_gravity_omp.h
A		src/USER-OMP/fix_nve_sphere_omp.cpp
A		src/USER-OMP/fix_nve_sphere_omp.h
A		src/USER-OMP/fix_shear_history_omp.cpp
A		src/USER-OMP/fix_shear_history_omp.h
A		src/USER-OMP/pair_adp_omp.cpp
A		src/USER-OMP/pair_adp_omp.h
P		src/USER-OMP/pair_born_coul_long_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_born_coul_long_omp.h
P		src/USER-OMP/pair_born_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_born_omp.h
P		src/USER-OMP/pair_buck_coul_cut_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_buck_coul_cut_omp.h
P		src/USER-OMP/pair_buck_coul_long_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_buck_coul_long_omp.h
A		src/USER-OMP/pair_buck_coul_omp.cpp
A		src/USER-OMP/pair_buck_coul_omp.h
P		src/USER-OMP/pair_buck_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_buck_omp.h
A		src/USER-OMP/pair_cdeam_omp.cpp
A		src/USER-OMP/pair_cdeam_omp.h
P		src/USER-OMP/pair_colloid_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_colloid_omp.h
P		src/USER-OMP/pair_coul_cut_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_coul_cut_omp.h
P		src/USER-OMP/pair_coul_debye_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_coul_debye_omp.h
P		src/USER-OMP/pair_coul_long_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_coul_long_omp.h
A		src/USER-OMP/pair_dipole_cut_omp.cpp
A		src/USER-OMP/pair_dipole_cut_omp.h
A		src/USER-OMP/pair_dipole_sf_omp.cpp
A		src/USER-OMP/pair_dipole_sf_omp.h
P		src/USER-OMP/pair_dpd_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_dpd_omp.h
P		src/USER-OMP/pair_dpd_tstat_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_dpd_tstat_omp.h
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
P		src/USER-OMP/pair_gauss_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_gauss_omp.h
A		src/USER-OMP/pair_gayberne_omp.cpp
A		src/USER-OMP/pair_gayberne_omp.h
A		src/USER-OMP/pair_gran_hertz_history_omp.cpp
A		src/USER-OMP/pair_gran_hertz_history_omp.h
A		src/USER-OMP/pair_gran_hooke_history_omp.cpp
A		src/USER-OMP/pair_gran_hooke_history_omp.h
A		src/USER-OMP/pair_gran_hooke_omp.cpp
A		src/USER-OMP/pair_gran_hooke_omp.h
A		src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
A		src/USER-OMP/pair_hbond_dreiding_lj_omp.h
A		src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
A		src/USER-OMP/pair_hbond_dreiding_morse_omp.h
P		src/USER-OMP/pair_lj96_cut_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj96_cut_omp.h
P		src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.h
P		src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_charmm_coul_charmm_omp.h
P		src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_charmm_coul_long_omp.h
P		src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_class2_coul_cut_omp.h
P		src/USER-OMP/pair_lj_class2_coul_long_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_class2_coul_long_omp.h
P		src/USER-OMP/pair_lj_class2_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_class2_omp.h
A		src/USER-OMP/pair_lj_coul_omp.cpp
A		src/USER-OMP/pair_lj_coul_omp.h
P		src/USER-OMP/pair_lj_cubic_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_cubic_omp.h
P		src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_cut_coul_cut_omp.h
P		src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_cut_coul_debye_omp.h
P		src/USER-OMP/pair_lj_cut_coul_long_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_cut_coul_long_omp.h
A		src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.cpp
A		src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.h
P		src/USER-OMP/pair_lj_cut_omp.cpp Copied to multiple locations: src/USER-OMP/pair_born_coul_long_omp.cpp src/USER-OMP/pair_born_omp.cpp src/USER-OMP/pair_buck_coul_cut_omp.cpp src/USER-OMP/pair_buck_coul_long_omp.cpp src/USER-OMP/pair_buck_omp.cpp src/USER-OMP/pair_colloid_omp.cpp src/USER-OMP/pair_coul_cut_omp.cpp src/USER-OMP/pair_coul_debye_omp.cpp src/USER-OMP/pair_coul_long_omp.cpp src/USER-OMP/pair_dpd_omp.cpp src/USER-OMP/pair_dpd_tstat_omp.cpp src/USER-OMP/pair_gauss_omp.cpp src/USER-OMP/pair_lj96_cut_omp.cpp src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp src/USER-OMP/pair_lj_class2_coul_long_omp.cpp src/USER-OMP/pair_lj_class2_omp.cpp src/USER-OMP/pair_lj_cubic_omp.cpp src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp src/USER-OMP/pair_lj_cut_coul_long_omp.cpp src/USER-OMP/pair_lj_expand_omp.cpp src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp src/USER-OMP/pair_lj_gromacs_omp.cpp src/USER-OMP/pair_lj_sf_omp.cpp src/USER-OMP/pair_lj_smooth_omp.cpp src/USER-OMP/pair_morse_omp.cpp src/USER-OMP/pair_soft_omp.cpp src/USER-OMP/pair_table_omp.cpp src/USER-OMP/pair_yukawa_colloid_omp.cpp src/USER-OMP/pair_yukawa_omp.cpp
P		src/USER-OMP/pair_lj_expand_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_expand_omp.h
P		src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.h
P		src/USER-OMP/pair_lj_gromacs_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_gromacs_omp.h
P		src/USER-OMP/pair_lj_sf_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_sf_omp.h
P		src/USER-OMP/pair_lj_smooth_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_lj_smooth_omp.h
A		src/USER-OMP/pair_lubricate_omp.cpp
A		src/USER-OMP/pair_lubricate_omp.h
P		src/USER-OMP/pair_morse_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_morse_omp.h
A		src/USER-OMP/pair_peri_lps_omp.cpp
A		src/USER-OMP/pair_peri_lps_omp.h
A		src/USER-OMP/pair_peri_pmb_omp.cpp
A		src/USER-OMP/pair_peri_pmb_omp.h
A		src/USER-OMP/pair_resquared_omp.cpp
A		src/USER-OMP/pair_resquared_omp.h
P		src/USER-OMP/pair_soft_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_soft_omp.h
A		src/USER-OMP/pair_sw_omp.cpp
A		src/USER-OMP/pair_sw_omp.h
P		src/USER-OMP/pair_table_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_table_omp.h
A		src/USER-OMP/pair_tersoff_omp.cpp
A		src/USER-OMP/pair_tersoff_omp.h
P		src/USER-OMP/pair_tersoff_zbl_omp.cpp Copied from src/MANYBODY/pair_tersoff_zbl.cpp
A		src/USER-OMP/pair_tersoff_zbl_omp.h
P		src/USER-OMP/pair_yukawa_colloid_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_yukawa_colloid_omp.h
P		src/USER-OMP/pair_yukawa_omp.cpp Copied from src/USER-OMP/pair_lj_cut_omp.cpp
A		src/USER-OMP/pair_yukawa_omp.h
M		src/USER-OMP/thr_omp.cpp
M		src/USER-OMP/thr_omp.h
M		src/fix_addforce.cpp
M		src/input.cpp
M		src/lammps.cpp
M		src/version.h
M		tools/amber2lmp/amber2lammps.py