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4ae1ca521c
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
lib/linalg/Makefile.gfortran
lib/linalg/Makefile.mingw_cross
src/GPU/pppm_gpu.cpp
src/USER-REAXC/pair_reax_c.h
tools/restart2data.cpp
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2012-01-07 12:04:28 -05:00 |
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aac0e5699f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7426 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-06 17:13:10 +00:00 |
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a242911efd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7422 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-01-06 17:07:51 +00:00 |
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2214992035
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Merge branch 'openmp-master' into lammps-icms
Resolved Conflicts:
.gitignore
doc/fix_spring_self.txt
lib/atc/Array.h
lib/gpu/.gitignore
src/.gitignore
src/MAKE/Makefile.openmpi
src/MAKE/Makefile.openmpi-omp
src/STUBS/Makefile
src/STUBS/mpi.c
src/STUBS/mpi.h
src/USER-CG-CMM/cg_cmm_parms.h
src/dump.h
src/fix_spring_self.cpp
tools/restart2data.cpp
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2011-12-31 19:59:13 -05:00 |
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9259ae8699
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Merge branch 'master' into lammps-icms
Resolved Conflicts:
doc/Eqs/pair_coul_diel.jpg
doc/Section_commands.html
doc/Section_commands.txt
doc/pair_coul_diel.html
doc/pair_coul_diel.txt
doc/processors.html
doc/processors.txt
examples/USER/imd/bucky_cnt_imd.vmd
examples/USER/imd/in.bucky-plus-cnt
examples/USER/imd/in.deca-ala-solv_imd
examples/USER/imd/in.deca-ala_imd
lib/gpu/Makefile.fermi
lib/gpu/Makefile.lincoln
lib/gpu/Makefile.longhorn
lib/gpu/Makefile.serial
lib/gpu/geryon/VERSION.txt
lib/gpu/pair_gpu_device.cpp
src/ASPHERE/atom_vec_ellipsoid.cpp
src/CLASS2/Install.sh
src/COLLOID/atom_vec_colloid.cpp
src/DIPOLE/atom_vec_dipole.cpp
src/GPU/fix_gpu.cpp
src/GRANULAR/atom_vec_granular.cpp
src/GRANULAR/fix_pour.h
src/KSPACE/Install.sh
src/KSPACE/fft3d.cpp
src/KSPACE/fft3d.h
src/KSPACE/kissfft.h
src/KSPACE/pppm.cpp
src/KSPACE/pppm.h
src/KSPACE/pppm_tip4p.cpp
src/MAKE/Makefile.openmpi
src/MAKE/Makefile.serial
src/MANYBODY/pair_airebo.cpp
src/MANYBODY/pair_comb.cpp
src/MANYBODY/pair_eam.cpp
src/MANYBODY/pair_eim.cpp
src/MANYBODY/pair_sw.cpp
src/MANYBODY/pair_tersoff.cpp
src/MANYBODY/pair_tersoff_zbl.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/Makefile
src/Makefile.lib
src/PERI/atom_vec_peri.cpp
src/USER-CG-CMM/Install.sh
src/USER-IMD/README
src/USER-IMD/fix_imd.cpp
src/USER-IMD/fix_imd.h
src/USER-SMD/Install.sh
src/atom_vec_atomic.cpp
src/atom_vec_charge.cpp
src/comm.cpp
src/finish.cpp
src/fix_box_relax.cpp
src/fix_deposit.cpp
src/fix_spring_self.cpp
src/fix_store_state.cpp
src/fix_wall.cpp
src/fix_wall_reflect.cpp
src/input.cpp
src/input.h
src/memory.cpp
src/memory.h
src/pair_lj_cut.cpp
tools/restart2data.cpp
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2011-12-31 19:07:46 -05:00 |
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d0686fbd3f
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terminate all inline function declaration with ';'
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2011-12-26 19:48:04 -05:00 |
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2b97a34844
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Merge branch 'master' into openmp-master
Resolved Conflicts:
src/REPLICA/neb.cpp
src/REPLICA/prd.cpp
src/REPLICA/tad.cpp
src/REPLICA/temper.cpp
src/min.cpp
src/minimize.cpp
src/run.cpp
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2011-12-09 09:40:19 -05:00 |
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f56f6a1a9d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7320 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-08 23:16:23 +00:00 |
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4a2feb25b2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7317 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-08 23:12:19 +00:00 |
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7595f64f05
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cosmetic changes
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2011-12-03 10:24:58 -05:00 |
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ca4f233802
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Merge branch 'master' into openmp-master
Resolved Conflicts:
lib/gpu/Makefile.firefly
lib/gpu/Makefile.firefly_opencl
lib/gpu/Nvidia.makefile
lib/gpu/Opencl.makefile
lib/gpu/lal_cg_cmm.cpp
lib/gpu/lal_cg_cmm.cu
lib/gpu/lal_cg_cmm.h
lib/gpu/lal_cg_cmm_ext.cpp
lib/gpu/lal_cg_cmm_long.cpp
lib/gpu/lal_cg_cmm_long.cu
lib/gpu/lal_cg_cmm_long.h
lib/gpu/lal_cg_cmm_long_ext.cpp
lib/gpu/lal_precision.h
lib/gpu/lal_preprocessor.h
src/GPU/Install.sh
src/GPU/pair_lj_cut_coul_long_gpu.cpp
src/GPU/pair_lj_sdk_coul_long_gpu.cpp
src/GPU/pair_lj_sdk_gpu.cpp
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2011-12-03 09:49:28 -05:00 |
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196e2743f7
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gpu library updates from sync with steve
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2011-12-02 17:28:12 -05:00 |
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5d94d8642a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7292 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-02 18:27:33 +00:00 |
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9c9282d024
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7291 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-02 18:27:16 +00:00 |
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d1f2eaeb4d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7284 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-02 16:12:34 +00:00 |
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2728aab0e5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7283 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-02 16:11:02 +00:00 |
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7837edd51f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7281 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-02 16:02:36 +00:00 |
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00dc2b891f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7280 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-02 16:01:04 +00:00 |
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37f098062b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7275 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-02 15:51:43 +00:00 |
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6de5bb6200
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include preprocessor updates from mike brown
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2011-12-01 11:26:42 -05:00 |
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f7f40f5036
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neighbor list bugfix from mike brown
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2011-11-28 21:48:08 -05:00 |
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91d8e872fe
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include LAL bugfixes from mike brown for _DOUBLE_DOUBLE with OpenCL
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2011-11-14 20:05:48 -05:00 |
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63dd17808d
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remove threaded gpu style and update install script for cg/cmm lj/sdk rename
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2011-11-08 22:30:00 -05:00 |
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6c74091b2a
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cosmetic changes.
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2011-11-08 18:03:36 -05:00 |
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2b6744cf67
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remove msm support from GPU library
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2011-11-08 16:57:23 -05:00 |
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0316e0bf9c
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rename cg/cmm to lj/sdk
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2011-11-07 20:52:48 -05:00 |
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320d2d4789
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fix typo in package makefile
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2011-11-07 15:48:23 -05:00 |
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2483f01648
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copy fermi settings to amd/cypress settings and make them active
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2011-11-06 18:37:22 -05:00 |
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463d13d99b
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update list of files/dirs to ignore
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2011-11-06 16:00:53 -05:00 |
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ed93f3af3d
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add example for compilation of OpenCL with nvidia
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2011-11-06 15:58:23 -05:00 |
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c1aaa2c1bd
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provide info for OpenCL compilation
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2011-11-06 15:45:39 -05:00 |
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2f4836a100
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bugfix from mike brown
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2011-11-06 12:00:41 -05:00 |
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0eb377ace6
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files to ignore
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2011-11-04 19:23:56 -04:00 |
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400e91c22b
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added placeholder for AMD FirePro3D optimizations
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2011-11-04 19:21:09 -04:00 |
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fe583386ec
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import gpu library snapshot from mike brown
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2011-11-04 19:17:12 -04:00 |
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2e98904bba
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update makefile for coul/long/gpu
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2011-11-04 18:31:54 -04:00 |
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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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31868e7aea
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encode location of cuda library into binary
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2011-10-18 17:44:38 -04:00 |
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4591d9958d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7048 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-10-07 23:52:06 +00:00 |
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79e1087146
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7021 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-09-30 16:58:31 +00:00 |
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8aad0f31e0
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some small updates and corrections
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2011-09-24 14:47:33 -04:00 |
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9a13f65f8d
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a few more minor GPU cleanups.
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2011-08-24 14:03:56 -04:00 |
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c5479893f4
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Merge branch 'master' into fermi-mods
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2011-08-24 13:43:46 -04:00 |
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541c47f4d4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6766 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-23 21:12:16 +00:00 |
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7a1f6fc1ee
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6765 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-23 21:11:35 +00:00 |
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61796505fd
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adjust for local setup.
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2011-08-19 18:40:36 -04:00 |
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d22491de17
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6729 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-18 17:32:34 +00:00 |
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84b5b0bef8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6727 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-18 17:32:05 +00:00 |
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3c1cefdba0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6625 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-08 19:51:22 +00:00 |
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945343265e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6407 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-06-14 13:34:06 +00:00 |
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