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ad9e26e107
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make sure communication buffers for atom data are fully initialized.
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2013-06-05 18:01:27 +02:00 |
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c1b6654dbc
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/MOLECULE/atom_vec_full.cpp
src/REPLICA/prd.cpp
src/atom_vec_charge.cpp
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2013-05-10 10:03:21 +02:00 |
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07071dccd9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9837 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-08 15:59:33 +00:00 |
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81a2ac57dc
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
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2013-04-04 17:20:27 +02:00 |
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da77d5e62a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9737 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-04-03 16:52:29 +00:00 |
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558c801d92
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allocate storage for one more atom, so we can have a dummy atom in neighbor lists
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2013-02-18 20:38:37 +01:00 |
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1d68769ded
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/KSPACE/pair_buck_long_coul_long.cpp
src/USER-OMP/angle_fourier_omp.cpp
src/USER-OMP/angle_fourier_simple_omp.cpp
src/USER-OMP/angle_quartic_omp.cpp
src/USER-OMP/dihedral_fourier_omp.cpp
src/USER-OMP/dihedral_nharmonic_omp.cpp
src/USER-OMP/dihedral_quadratic_omp.cpp
src/USER-OMP/domain_omp.cpp
src/USER-OMP/fix_nh_asphere_omp.cpp
src/USER-OMP/fix_nh_omp.cpp
src/USER-OMP/fix_nh_sphere_omp.cpp
src/USER-OMP/fix_nve_omp.cpp
src/USER-OMP/fix_nvt_sllod_omp.cpp
src/USER-OMP/pair_dipole_sf_omp.cpp
src/USER-OMP/pair_hbond_dreiding_lj_omp.cpp
src/USER-OMP/pair_hbond_dreiding_morse_omp.cpp
src/math_special.h
src/neigh_bond.cpp
src/neighbor.h
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2013-02-09 13:21:53 +01:00 |
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ce7dede594
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9399 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-08 16:44:04 +00:00 |
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1fa419fa85
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/USER-MISC/dihedral_table.h
src/comm.cpp
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2013-02-03 08:23:39 -05:00 |
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69a209f09d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9380 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-01 16:52:14 +00:00 |
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bdd81705cc
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
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2013-02-01 08:29:23 -05:00 |
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0c6b84987c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9346 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-31 16:31:03 +00:00 |
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f73d1bffe2
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/pair_lj_cut_coul_cut.h
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2012-07-26 07:28:59 -04:00 |
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912cfaca75
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8497 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-25 15:15:41 +00:00 |
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2a099bfedb
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Merge branch 'master' into lammps-icms
Resolve Conflicts:
src/region.cpp
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2012-06-30 11:23:32 -04:00 |
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dfb51e6b00
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8398 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-25 23:31:14 +00:00 |
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66c5617afb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-25 22:03:31 +00:00 |
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48aa45f7f0
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Merge branch 'master' into lammps-icms
Resolved Conflicts (i hope):
src/REPLICA/neb.cpp
src/REPLICA/prd.cpp
src/REPLICA/tad.cpp
src/REPLICA/verlet_split.cpp
src/USER-CUDA/atom_vec_angle_cuda.h
src/USER-CUDA/atom_vec_atomic_cuda.h
src/USER-CUDA/atom_vec_charge_cuda.h
src/USER-CUDA/atom_vec_full_cuda.h
src/USER-CUDA/compute_pe_cuda.h
src/USER-CUDA/compute_pressure_cuda.h
src/USER-CUDA/compute_temp_cuda.h
src/USER-CUDA/compute_temp_partial_cuda.h
src/USER-CUDA/cuda.cpp
src/USER-CUDA/cuda.h
src/USER-CUDA/cuda_data.h
src/USER-CUDA/cuda_neigh_list.h
src/USER-CUDA/fft3d_cuda.h
src/USER-CUDA/fft3d_wrap_cuda.h
src/USER-CUDA/fix_addforce_cuda.h
src/USER-CUDA/fix_aveforce_cuda.h
src/USER-CUDA/fix_enforce2d_cuda.h
src/USER-CUDA/fix_freeze_cuda.h
src/USER-CUDA/fix_gravity_cuda.h
src/USER-CUDA/fix_nve_cuda.h
src/USER-CUDA/fix_set_force_cuda.h
src/USER-CUDA/fix_temp_berendsen_cuda.h
src/USER-CUDA/fix_temp_rescale_cuda.h
src/USER-CUDA/fix_temp_rescale_limit_cuda.h
src/USER-CUDA/fix_viscous_cuda.h
src/USER-CUDA/pair_born_coul_long_cuda.h
src/USER-CUDA/pair_buck_coul_cut_cuda.h
src/USER-CUDA/pair_buck_coul_long_cuda.h
src/USER-CUDA/pair_buck_cuda.h
src/USER-CUDA/pair_cg_cmm_coul_cut_cuda.cpp
src/USER-CUDA/pair_cg_cmm_coul_cut_cuda.h
src/USER-CUDA/pair_cg_cmm_coul_debye_cuda.cpp
src/USER-CUDA/pair_cg_cmm_coul_debye_cuda.h
src/USER-CUDA/pair_cg_cmm_coul_long_cuda.cpp
src/USER-CUDA/pair_cg_cmm_coul_long_cuda.h
src/USER-CUDA/pair_cg_cmm_cuda.cpp
src/USER-CUDA/pair_cg_cmm_cuda.h
src/USER-CUDA/pair_eam_cuda.h
src/USER-CUDA/pair_gran_hooke_cuda.h
src/USER-CUDA/pair_lj96_cut_cuda.h
src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.h
src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.h
src/USER-CUDA/pair_lj_charmm_coul_long_cuda.h
src/USER-CUDA/pair_lj_class2_coul_cut_cuda.h
src/USER-CUDA/pair_lj_class2_coul_long_cuda.h
src/USER-CUDA/pair_lj_class2_cuda.h
src/USER-CUDA/pair_lj_cut_coul_cut_cuda.h
src/USER-CUDA/pair_lj_cut_coul_debye_cuda.h
src/USER-CUDA/pair_lj_cut_coul_long_cuda.h
src/USER-CUDA/pair_lj_cut_cuda.h
src/USER-CUDA/pair_lj_cut_experimental_cuda.h
src/USER-CUDA/pair_lj_expand_cuda.h
src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.h
src/USER-CUDA/pair_lj_gromacs_cuda.h
src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp
src/USER-CUDA/pair_lj_sdk_coul_long_cuda.h
src/USER-CUDA/pair_lj_sdk_cuda.h
src/USER-CUDA/pair_lj_smooth_cuda.h
src/USER-CUDA/pair_morse_cuda.h
src/USER-CUDA/pair_sw_cuda.h
src/USER-CUDA/pair_tersoff_cuda.h
src/USER-CUDA/pair_tersoff_zbl_cuda.h
src/USER-CUDA/pppm_cuda.h
src/USER-CUDA/verlet_cuda.cpp
src/USER-CUDA/verlet_cuda.h
src/comm.cpp
src/finish.cpp
src/fix_rigid_nvt.h
src/respa.cpp
src/run.cpp
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2012-06-07 16:42:38 -04:00 |
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ef9e700545
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-06 22:47:51 +00:00 |
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90ce52e383
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
doc/kspace_style.html
doc/kspace_style.txt
src/USER-EWALDN/ewald_n.h
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2012-02-29 10:29:35 -05:00 |
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3450c008aa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-28 17:29:18 +00:00 |
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52568d2738
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7849 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-28 17:19:20 +00:00 |
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31dc359e82
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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
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2011-10-21 15:50:39 -04:00 |
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f90ce18f3d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-10-20 00:11:49 +00:00 |
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15203cb792
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7039 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-10-06 17:55:48 +00:00 |
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74eec94b44
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remove executable permissions
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2011-09-25 11:59:55 -04:00 |
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78b0055319
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Merge branch 'ak-fix' into openmp-step2
Resolved Conflicts:
src/COLLOID/pair_colloid.cpp
src/pair_table.cpp
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2011-09-24 13:55:42 -04:00 |
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19e8c92a90
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-09-23 18:06:55 +00:00 |
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029a4d2df2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6780 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-24 14:11:14 +00:00 |
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dbe23399fd
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correct oversights in the base lammps support code
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2011-08-23 14:57:10 -04:00 |
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775f182d1f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6709 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-17 21:25:29 +00:00 |
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bc7dd498a4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6015 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-04-22 23:56:05 +00:00 |
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71dcf37148
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6014 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-04-22 23:05:58 +00:00 |
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a63accb1e8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5995 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-04-21 22:45:00 +00:00 |
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428bdd0b09
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5992 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-04-21 20:05:45 +00:00 |
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0f41ccb943
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5987 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-04-19 23:17:46 +00:00 |
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fb1e5c2389
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5974 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-04-19 00:09:41 +00:00 |
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6284969800
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5973 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-04-18 22:16:33 +00:00 |
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