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60e58c44cf
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
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2013-07-26 13:15:49 +02:00 |
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856f78e50a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10349 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-25 17:47:47 +00:00 |
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f37ae6cb74
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-28 19:06:37 +00:00 |
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2b1e3a30bd
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
doc/fix_tune_kspace.txt
doc/group2ndx.txt
src/DIPOLE/atom_vec_dipole.cpp
src/DIPOLE/pair_lj_long_dipole_long.cpp
src/MOLECULE/atom_vec_angle.cpp
src/MOLECULE/atom_vec_bond.cpp
src/MOLECULE/atom_vec_full.cpp
src/MOLECULE/atom_vec_molecular.cpp
src/PERI/atom_vec_peri.cpp
src/USER-AWPMD/atom_vec_wavepacket.cpp
src/USER-COLVARS/README
src/USER-EFF/atom_vec_electron.cpp
src/USER-SPH/atom_vec_meso.cpp
src/atom.h
src/atom_vec_atomic.cpp
src/atom_vec_body.cpp
src/atom_vec_charge.cpp
src/atom_vec_ellipsoid.cpp
src/atom_vec_line.cpp
src/atom_vec_sphere.cpp
src/atom_vec_tri.cpp
src/fix_restrain.cpp
src/force.cpp
tools/restart2data.cpp
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2013-06-28 13:09:52 +02:00 |
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8d699db7a8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10113 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-27 21:41:33 +00:00 |
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2dbe3f80a2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-27 20:02:55 +00:00 |
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2e5f2ba1e8
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port AWPMD to cross compilation with mingw
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2013-06-25 00:31:43 +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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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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88d49ad3e9
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more meaningful error location for numerical parsing checks
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2013-06-04 09:57:10 +02:00 |
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ce2b853e4a
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Eqs/pair_gauss.jpg
doc/Manual.txt
doc/pair_list.html
doc/pair_list.txt
lib/atc/Makefile.lammps.linalg
lib/awpmd/Makefile.lammps.linalg
lib/gpu/Makefile.lincoln
lib/linalg/Makefile.gfortran
lib/linalg/Makefile.mingw_cross
lib/linalg/README
lib/reax/Makefile.lammps
src/USER-CG-CMM/Install.sh
src/USER-COLVARS/Install.sh
src/USER-CUDA/Install.sh
src/USER-MISC/Install.sh
src/USER-MISC/pair_list.cpp
src/USER-OMP/Install.sh
src/USER-PHONON/Install.sh
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2013-06-01 13:53:34 +02:00 |
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a5da3aa1ce
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9987 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-31 15:17:46 +00:00 |
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97ff0b349c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9946 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-30 16:42:54 +00:00 |
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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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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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47552d4033
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-25 15:16:20 +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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6795f0f3af
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8432 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-29 17:16:11 +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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6e511540f8
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/REPLICA/prd.cpp
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2012-06-22 10:09:35 -04:00 |
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4baf5cec99
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8360 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-20 18:06:29 +00:00 |
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dc9431dcb2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8343 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-19 20:44:29 +00:00 |
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7b55b61abb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8342 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-19 20:33:12 +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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6214cf2944
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
src/USER-CUDA/fix_npt_cuda.cpp
src/USER-CUDA/fix_nvt_cuda.cpp
src/USER-OMP/fix_omp.cpp
src/fix.h
src/memory.cpp
tools/restart2data.cpp
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2012-02-02 09:13:06 -05:00 |
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f884a7ec85
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-01 16:27:41 +00:00 |
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0b2c652aa9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-01 15:46:16 +00:00 |
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783142ff2e
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Merge branch 'master' into lammps-icms
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2012-01-31 08:38:34 -05:00 |
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5ffc4b9bc1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7614 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-31 00:29:58 +00:00 |
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4df037aa3b
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use a namespace with static const to propagate fix flags safely.
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2012-01-30 18:15:25 -05:00 |
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0f4a27ad8b
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add c++ emacs cookies into all SCM managed headers
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2011-12-23 18:27:40 -05:00 |
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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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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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139d3174d5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6830 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-27 19:03:30 +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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0cfaaee5d5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6724 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-18 15:03:14 +00:00 |
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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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f62b317d37
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6452 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-20 16:42:39 +00:00 |
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66c9d6b22e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6399 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-14 00:22:15 +00:00 |
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db6648273c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6383 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-13 23:28:04 +00:00 |
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c063c3dc41
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6375 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-13 21:58:21 +00:00 |
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