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5f2e89786f
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fix compilation issue due to new timer class in lammps-icms
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2013-10-03 15:00:01 +02:00 |
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8edeead355
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Merge remote branch 'lammps-ro/master' into lammps-icms
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2013-10-03 13:48:39 +02:00 |
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5d8427bc5b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10848 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-10-02 13:41:42 +00:00 |
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3b06646a18
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
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2013-08-21 05:10:12 +02:00 |
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62df2d920e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10592 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-19 16:42:51 +00:00 |
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8e61b4c5c0
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Added density keyword
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10578 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-08-14 00:19:43 +00:00 |
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a00c94fa29
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rename LOOP timer to TOTAL and implement timers command
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2013-07-25 11:51:54 +02:00 |
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0e04550043
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massive patch to flag non-numeric input
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2013-06-23 14:34:38 +02:00 |
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34c103e2c9
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/Depend.sh
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2013-05-26 11:57:22 +02:00 |
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db8eda0253
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9913 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-24 18:55:24 +00:00 |
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5680a3f9bb
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/comm.cpp
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2013-05-24 15:24:12 +02:00 |
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e3b479a4cd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9896 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-23 17:34:29 +00:00 |
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427161ef56
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/MAKE/Makefile.openmpi
src/min_linesearch.cpp
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2013-01-09 07:09:35 -05:00 |
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57d9d9c7c4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9248 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-08 17:48:31 +00:00 |
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27c6f67b93
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9246 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-08 17:45:03 +00:00 |
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cf4ed82081
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9199 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-03 00:26:04 +00:00 |
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7e9bb11c75
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Merge branch 'master' into lammps-icms
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2012-12-19 05:19:46 -05:00 |
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cdd3df2346
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Extended MAXLINE to match input.cpp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9162 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-12-14 15:32:30 +00:00 |
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fceac44221
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/Makefile
src/Purge.list
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2012-12-01 17:06:36 -05:00 |
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96ac3913b2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9135 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-11-30 21:05:12 +00:00 |
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7a99914003
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9131 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-11-30 19:49:43 +00:00 |
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e5cc471307
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Merge branch 'master' into lammps-icms
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2012-11-26 08:47:57 -05:00 |
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617709b400
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9039 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-11-09 15:43:13 +00:00 |
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01830d476b
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
python/lammps.py
src/MAKE/Makefile.mingw
src/MAKE/Makefile.openmpi
src/MAKE/Makefile.serial
src/MAKE/Makefile.serial_debug
src/USER-CUDA/verlet_cuda.cpp
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2012-08-14 03:35:29 -04:00 |
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6dbd121073
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8591 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-10 15:06:10 +00:00 |
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1f9f369657
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/rerun.cpp
src/run.cpp
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2012-06-09 12:27:33 -04:00 |
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7a2e00bbf1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8242 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-08 16:00:32 +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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ac68bb1981
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8227 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-06 22:53:32 +00:00 |
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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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269f3950e8
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Merge branch 'master' into openmp-master
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2012-01-04 09:43:27 -05:00 |
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ab090456b0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7399 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-04 00:18:53 +00:00 |
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5acd732f06
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Merge branch 'master' into openmp-master
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2011-12-17 18:40:20 -05:00 |
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4f48544d41
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-16 21:15:49 +00:00 |
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c26f383996
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Merge branch 'master' into openmp-master
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2011-12-15 09:15:12 -05:00 |
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a86eeda9b3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7363 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-14 15:18:48 +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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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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ad5127c52a
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remove definition of PI from classes
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2011-09-21 19:38:57 -04:00 |
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488eca7165
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implemented improved timer class
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2011-08-26 18:39:14 -04:00 |
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37df8b5cf0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6477 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-29 14:52:56 +00:00 |
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85aa73903c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6476 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-28 16:07:57 +00:00 |
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232e444f06
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6445 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-20 15:11:05 +00:00 |
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dfb085b321
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Added triclinic cell keywords and tilt factor scaling options
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6432 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-16 16:30:04 +00:00 |
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033b04a969
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6175 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-05-20 16:05:35 +00:00 |
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3a720230d9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5724 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-23 15:25:00 +00:00 |
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de9dfe44d4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5562 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-18 15:23:32 +00:00 |
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9b00fc4b99
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5548 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-01-14 16:04:55 +00:00 |
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