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793b6ddcaa01cbd96bdfd5bd2df447249ffbdfa1
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1434 Commits

Author SHA1 Message Date
Axel Kohlmeyer
793b6ddcaa Merge branch 'openmp-step8' into openmp-master 2011-10-26 14:19:18 -04:00
Axel Kohlmeyer
912d256f8e improve documentation of suffix command 2011-10-25 23:02:07 -04:00
Axel Kohlmeyer
ebdc50c17e remove link to disabled package 2011-10-25 17:31:16 -04:00
Axel Kohlmeyer
3295bdbec0 Merge branch 'openmp-next-merge' into openmp-master 
Resolved Conflicts:
	doc/fix_wall_reflect.txt
	src/GPU/fix_gpu.cpp
	src/USER-CUDA/verlet_cuda.cpp
	src/min.cpp
	src/neigh_full.cpp
	src/neigh_request.cpp
	src/respa.cpp
 2011-10-25 08:40:55 -04:00
Axel Kohlmeyer
9c5ad7cf33 Merge branch 'master' into openmp-next-merge 
Resolved Conflicts:
	doc/fix_wall_reflect.txt
	src/GPU/fix_gpu.cpp
	src/neigh_full.cpp
	src/neigh_request.cpp
 2011-10-25 08:37:53 -04:00
Axel Kohlmeyer
392868437e add documentation for compilation with posix_memalign() 2011-10-24 18:14:00 -04:00
sjplimp
326c40feaa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7178 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-24 17:46:47 +00:00
Axel Kohlmeyer
aa5daaff35 single out assorted bugfixes and changes that should 
be sent to steve before the next big OpenMP update.
 2011-10-22 17:49:17 -04:00
Axel Kohlmeyer
54df86aa9f added pppm/tip4p/proxy class 2011-10-21 21:28:59 -04:00
Axel Kohlmeyer
cee7f4acaf add docs for additional pppm/proxy compatible pair styles 2011-10-21 21:08:42 -04:00
Axel Kohlmeyer
033d43c1ed docs for OpenMP versions of line/lj and tri/lj 2011-10-21 21:04:05 -04:00
Axel Kohlmeyer
1a5e3a8160 added docs for multi-threaded kspace and pppm/proxy styles 2011-10-21 19:50:53 -04:00
Axel Kohlmeyer
31dc359e82 Merge branch 'master' into openmp-step6 
Resolved Conflicts:
	src/GPU/pppm_gpu.cpp
	src/KSPACE/ewald.h
	src/MANYBODY/pair_airebo.cpp
	src/MANYBODY/pair_comb.cpp
	src/MANYBODY/pair_comb.h
	src/MANYBODY/pair_tersoff.h
	src/MOLECULE/pair_hbond_dreiding_lj.cpp
	src/MOLECULE/pair_hbond_dreiding_morse.cpp
	src/USER-CUDA/pppm_cuda.cpp
	src/USER-OMP/Install.sh
	src/USER-OMP/Package.sh
	src/USER-OMP/dihedral_charmm_omp.cpp
	src/USER-OMP/dihedral_charmm_omp.h
	src/USER-OMP/dihedral_class2_omp.cpp
	src/USER-OMP/dihedral_class2_omp.h
	src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
	src/USER-OMP/dihedral_cosine_shift_exp_omp.h
	src/USER-OMP/dihedral_harmonic_omp.cpp
	src/USER-OMP/dihedral_harmonic_omp.h
	src/USER-OMP/dihedral_helix_omp.cpp
	src/USER-OMP/dihedral_helix_omp.h
	src/USER-OMP/dihedral_multi_harmonic_omp.cpp
	src/USER-OMP/dihedral_multi_harmonic_omp.h
	src/USER-OMP/dihedral_opls_omp.cpp
	src/USER-OMP/dihedral_opls_omp.h
	src/USER-OMP/fix_nve_sphere_omp.cpp
	src/USER-OMP/pair_adp_omp.cpp
	src/USER-OMP/pair_adp_omp.h
	src/USER-OMP/pair_born_coul_long_omp.cpp
	src/USER-OMP/pair_born_coul_long_omp.h
	src/USER-OMP/pair_born_omp.cpp
	src/USER-OMP/pair_born_omp.h
	src/USER-OMP/pair_buck_coul_cut_omp.cpp
	src/USER-OMP/pair_buck_coul_cut_omp.h
	src/USER-OMP/pair_buck_coul_long_omp.cpp
	src/USER-OMP/pair_buck_coul_long_omp.h
	src/USER-OMP/pair_buck_coul_omp.cpp
	src/USER-OMP/pair_buck_coul_omp.h
	src/USER-OMP/pair_buck_omp.cpp
	src/USER-OMP/pair_buck_omp.h
	src/USER-OMP/pair_cdeam_omp.cpp
	src/USER-OMP/pair_cdeam_omp.h
	src/USER-OMP/pair_colloid_omp.cpp
	src/USER-OMP/pair_colloid_omp.h
	src/USER-OMP/pair_coul_cut_omp.cpp
	src/USER-OMP/pair_coul_cut_omp.h
	src/USER-OMP/pair_coul_debye_omp.cpp
	src/USER-OMP/pair_coul_debye_omp.h
	src/USER-OMP/pair_coul_long_omp.cpp
	src/USER-OMP/pair_coul_long_omp.h
	src/USER-OMP/pair_dipole_cut_omp.cpp
	src/USER-OMP/pair_dipole_cut_omp.h
	src/USER-OMP/pair_dipole_sf_omp.cpp
	src/USER-OMP/pair_dipole_sf_omp.h
	src/USER-OMP/pair_dpd_omp.cpp
	src/USER-OMP/pair_dpd_omp.h
	src/USER-OMP/pair_dpd_tstat_omp.cpp
	src/USER-OMP/pair_dpd_tstat_omp.h
	src/USER-OMP/pair_eam_omp.cpp
	src/USER-OMP/pair_eam_omp.h
	src/USER-OMP/pair_edip_omp.cpp
	src/USER-OMP/pair_edip_omp.h
	src/USER-OMP/pair_eim_omp.cpp
	src/USER-OMP/pair_eim_omp.h
	src/USER-OMP/pair_gauss_omp.cpp
	src/USER-OMP/pair_gauss_omp.h
	src/USER-OMP/pair_gayberne_omp.cpp
	src/USER-OMP/pair_gayberne_omp.h
	src/USER-OMP/pair_gran_hertz_history_omp.cpp
	src/USER-OMP/pair_gran_hertz_history_omp.h
	src/USER-OMP/pair_gran_hooke_history_omp.cpp
	src/USER-OMP/pair_gran_hooke_history_omp.h
	src/USER-OMP/pair_gran_hooke_omp.cpp
	src/USER-OMP/pair_gran_hooke_omp.h
	src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
	src/USER-OMP/pair_hbond_dreiding_lj_omp.h
	src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
	src/USER-OMP/pair_hbond_dreiding_morse_omp.h
	src/USER-OMP/pair_lj96_cut_omp.cpp
	src/USER-OMP/pair_lj96_cut_omp.h
	src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.cpp
	src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.h
	src/USER-OMP/pair_lj_charmm_coul_charmm_omp.cpp
	src/USER-OMP/pair_lj_charmm_coul_charmm_omp.h
	src/USER-OMP/pair_lj_charmm_coul_long_omp.cpp
	src/USER-OMP/pair_lj_charmm_coul_long_omp.h
	src/USER-OMP/pair_lj_class2_coul_cut_omp.cpp
	src/USER-OMP/pair_lj_class2_coul_cut_omp.h
	src/USER-OMP/pair_lj_class2_coul_long_omp.cpp
	src/USER-OMP/pair_lj_class2_coul_long_omp.h
	src/USER-OMP/pair_lj_class2_omp.cpp
	src/USER-OMP/pair_lj_class2_omp.h
	src/USER-OMP/pair_lj_coul_omp.cpp
	src/USER-OMP/pair_lj_coul_omp.h
	src/USER-OMP/pair_lj_cubic_omp.cpp
	src/USER-OMP/pair_lj_cubic_omp.h
	src/USER-OMP/pair_lj_cut_coul_cut_omp.cpp
	src/USER-OMP/pair_lj_cut_coul_cut_omp.h
	src/USER-OMP/pair_lj_cut_coul_debye_omp.cpp
	src/USER-OMP/pair_lj_cut_coul_debye_omp.h
	src/USER-OMP/pair_lj_cut_coul_long_omp.cpp
	src/USER-OMP/pair_lj_cut_coul_long_omp.h
	src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.cpp
	src/USER-OMP/pair_lj_cut_coul_long_tip4p_omp.h
	src/USER-OMP/pair_lj_cut_omp.cpp
	src/USER-OMP/pair_lj_expand_omp.cpp
	src/USER-OMP/pair_lj_expand_omp.h
	src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.cpp
	src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.h
	src/USER-OMP/pair_lj_gromacs_omp.cpp
	src/USER-OMP/pair_lj_gromacs_omp.h
	src/USER-OMP/pair_lj_sf_omp.cpp
	src/USER-OMP/pair_lj_sf_omp.h
	src/USER-OMP/pair_lj_smooth_omp.cpp
	src/USER-OMP/pair_lj_smooth_omp.h
	src/USER-OMP/pair_lubricate_omp.cpp
	src/USER-OMP/pair_lubricate_omp.h
	src/USER-OMP/pair_morse_omp.cpp
	src/USER-OMP/pair_morse_omp.h
	src/USER-OMP/pair_peri_lps_omp.cpp
	src/USER-OMP/pair_peri_lps_omp.h
	src/USER-OMP/pair_peri_pmb_omp.cpp
	src/USER-OMP/pair_peri_pmb_omp.h
	src/USER-OMP/pair_resquared_omp.cpp
	src/USER-OMP/pair_resquared_omp.h
	src/USER-OMP/pair_soft_omp.cpp
	src/USER-OMP/pair_soft_omp.h
	src/USER-OMP/pair_sw_omp.cpp
	src/USER-OMP/pair_sw_omp.h
	src/USER-OMP/pair_table_omp.cpp
	src/USER-OMP/pair_table_omp.h
	src/USER-OMP/pair_tersoff_omp.cpp
	src/USER-OMP/pair_tersoff_omp.h
	src/USER-OMP/pair_yukawa_colloid_omp.cpp
	src/USER-OMP/pair_yukawa_colloid_omp.h
	src/USER-OMP/pair_yukawa_omp.cpp
	src/USER-OMP/pair_yukawa_omp.h
	src/USER-OMP/thr_omp.cpp
	src/USER-OMP/thr_omp.h
	src/read_data.cpp
 2011-10-21 15:50:39 -04:00
Axel Kohlmeyer
27173bf042 fix wall documentation bugfix 2011-10-20 15:35:38 -04:00
sjplimp
30242a51bd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7161 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:41:59 +00:00
sjplimp
5cd9c6fe00 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7160 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:37:44 +00:00
sjplimp
8dfec21cf4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7153 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:09:12 +00:00
sjplimp
522e626bc9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7152 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:07:41 +00:00
sjplimp
29ce252d9a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7151 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:06:55 +00:00
sjplimp
35aaafdfa7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7150 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:02:14 +00:00
sjplimp
b0f09063e0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7149 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:01:56 +00:00
sjplimp
55b951bed0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7128 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-19 22:43:40 +00:00
Axel Kohlmeyer
1fd63a4680 fix typo in manual 2011-10-19 12:57:54 -04:00
Axel Kohlmeyer
506f2f1655 add documentation for /omp improper styles 2011-10-18 20:01:09 -04:00
Axel Kohlmeyer
8a5ba2e5ff document all /omp angle styles. 2011-10-18 17:54:19 -04:00
Axel Kohlmeyer
6befcc93cf add documentation for /omp bond styles 2011-10-18 14:14:37 -04:00
athomps
eae3431926 Added note about omega 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7091 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-10-14 20:16:41 +00:00
Axel Kohlmeyer
f5424c6f3a refactor argument parsing for "package omp" 
handle selection of OpenMP or serial neighbor list build
minor cleanups
 2011-10-13 16:09:03 -04:00
sjplimp
d8df399c7f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7088 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-13 13:31:47 +00:00
sjplimp
6a2a96053c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7058 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-10 15:01:46 +00:00
Axel Kohlmeyer
a35cb79bc1 Merge branch 'master' into openmp-step4 
Resolved Conflicts:
	doc/Section_accelerate.txt
	doc/Section_commands.txt
	doc/angle_hybrid.txt
	doc/bond_hybrid.txt
	doc/dihedral_hybrid.txt
	doc/improper_hybrid.txt
	doc/suffix.txt
	src/MOLECULE/angle_hybrid.cpp
	src/MOLECULE/dihedral_hybrid.cpp
	src/MOLECULE/improper_hybrid.cpp
	src/bond_hybrid.cpp
	src/compute_pair.cpp
	src/force.cpp
	src/pair_hybrid.cpp
 2011-10-07 08:51:26 -04:00
sjplimp
649c0c437c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7041 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-06 18:04:03 +00:00
sjplimp
f70a2f8937 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7038 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-06 17:32:51 +00:00
sjplimp
223d56efc9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7032 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-06 14:29:03 +00:00
sjplimp
d2990ef08b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7029 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-06 14:15:34 +00:00
Axel Kohlmeyer
608a145e4b added /omp documentation for fix gravity 2011-10-04 12:13:08 -04:00
Axel Kohlmeyer
5ed99b0203 add documentation about hybrid/omp styles 2011-10-04 12:06:12 -04:00
sjplimp
bf962e01ee git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7027 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-04 15:13:00 +00:00
Axel Kohlmeyer
11e78acd58 support use of suffix with hybrid pair styles 2011-10-03 16:33:40 -04:00
Axel Kohlmeyer
b6171ab4b1 Merge branch 'master' into openmp-step4 
Resolved Conflicts:
	doc/Section_commands.txt
	doc/pair_lj.txt
	src/OPT/pair_lj_cut_coul_long_tip4p_opt.cpp
 2011-10-01 09:06:27 -04:00
sjplimp
7d2dd1a90f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7018 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-30 16:56:12 +00:00
Axel Kohlmeyer
d10e433744 add documentation for new OpenMP styles 2011-09-25 17:52:28 -04:00
Axel Kohlmeyer
6cc4072eda add missing documentation 2011-09-24 22:05:32 -04:00
Axel Kohlmeyer
4d4d6e8721 correct file permissions 2011-09-24 21:52:59 -04:00
Axel Kohlmeyer
570afbab09 add documentation for /omp styles. 2011-09-24 21:50:48 -04:00
Axel Kohlmeyer
c22da31fb0 some more doc tweaking 2011-09-24 20:46:22 -04:00
Axel Kohlmeyer
3897a860df a few small doc updates 2011-09-24 20:31:05 -04:00
Axel Kohlmeyer
40f8b15133 update documentation for USER-OMP package. 2011-09-24 20:26:02 -04:00
Axel Kohlmeyer
908e7fa748 mention new /opt pair styles 2011-09-24 16:56:51 -04:00
Axel Kohlmeyer
6cec4f9304 mention new /opt pair styles 2011-09-24 16:56:21 -04:00