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202 Commits

Author SHA1 Message Date
Axel Kohlmeyer
5026f4b788 Merge branch 'master' into lammps-icms 2012-01-10 09:05:38 -05:00
sjplimp
66ad4f5c21 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7498 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-10 01:55:10 +00:00
Axel Kohlmeyer
4ae1ca521c 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
 2012-01-07 12:04:28 -05:00
sjplimp
78385ca341 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7446 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 18:15:33 +00:00
sjplimp
062409ad34 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7445 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 18:15:19 +00:00
sjplimp
bc9971341f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7436 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 17:42:50 +00:00
sjplimp
1215b8accc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7435 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 17:41:26 +00:00
sjplimp
aac0e5699f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7426 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 17:13:10 +00:00
sjplimp
a242911efd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7422 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-01-06 17:07:51 +00:00
Axel Kohlmeyer
2214992035 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
 2011-12-31 19:59:13 -05:00
Axel Kohlmeyer
9259ae8699 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
 2011-12-31 19:07:46 -05:00
Axel Kohlmeyer
d0686fbd3f terminate all inline function declaration with ';' 2011-12-26 19:48:04 -05:00
Axel Kohlmeyer
3e5c175a5b atc bugfix 2011-12-14 16:21:09 -05:00
Axel Kohlmeyer
2b97a34844 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
 2011-12-09 09:40:19 -05:00
sjplimp
f56f6a1a9d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7320 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-08 23:16:23 +00:00
sjplimp
4a2feb25b2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7317 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-08 23:12:19 +00:00
Axel Kohlmeyer
7595f64f05 cosmetic changes 2011-12-03 10:24:58 -05:00
Axel Kohlmeyer
ca4f233802 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
 2011-12-03 09:49:28 -05:00
Axel Kohlmeyer
196e2743f7 gpu library updates from sync with steve 2011-12-02 17:28:12 -05:00
sjplimp
5d94d8642a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7292 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-02 18:27:33 +00:00
sjplimp
9c9282d024 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7291 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-02 18:27:16 +00:00
sjplimp
d1f2eaeb4d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7284 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-02 16:12:34 +00:00
sjplimp
2728aab0e5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7283 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-02 16:11:02 +00:00
sjplimp
7837edd51f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7281 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-02 16:02:36 +00:00
sjplimp
00dc2b891f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7280 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-02 16:01:04 +00:00
sjplimp
37f098062b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7275 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-02 15:51:43 +00:00
Axel Kohlmeyer
6de5bb6200 include preprocessor updates from mike brown 2011-12-01 11:26:42 -05:00
Axel Kohlmeyer
21e591dba1 Merge branch 'master' into openmp-master 2011-12-01 10:48:05 -05:00
athomps
4badd69f3e Added settings for glory Intel v.11 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 2011-11-30 15:36:15 +00:00
Axel Kohlmeyer
f7f40f5036 neighbor list bugfix from mike brown 2011-11-28 21:48:08 -05:00
Axel Kohlmeyer
91d8e872fe include LAL bugfixes from mike brown for _DOUBLE_DOUBLE with OpenCL 2011-11-14 20:05:48 -05:00
Axel Kohlmeyer
63dd17808d remove threaded gpu style and update install script for cg/cmm lj/sdk rename 2011-11-08 22:30:00 -05:00
Axel Kohlmeyer
6c74091b2a cosmetic changes. 2011-11-08 18:03:36 -05:00
Axel Kohlmeyer
2b6744cf67 remove msm support from GPU library 2011-11-08 16:57:23 -05:00
Axel Kohlmeyer
0316e0bf9c rename cg/cmm to lj/sdk 2011-11-07 20:52:48 -05:00
Axel Kohlmeyer
320d2d4789 fix typo in package makefile 2011-11-07 15:48:23 -05:00
Axel Kohlmeyer
2483f01648 copy fermi settings to amd/cypress settings and make them active 2011-11-06 18:37:22 -05:00
Axel Kohlmeyer
463d13d99b update list of files/dirs to ignore 2011-11-06 16:00:53 -05:00
Axel Kohlmeyer
ed93f3af3d add example for compilation of OpenCL with nvidia 2011-11-06 15:58:23 -05:00
Axel Kohlmeyer
c1aaa2c1bd provide info for OpenCL compilation 2011-11-06 15:45:39 -05:00
Axel Kohlmeyer
2f4836a100 bugfix from mike brown 2011-11-06 12:00:41 -05:00
Axel Kohlmeyer
0eb377ace6 files to ignore 2011-11-04 19:23:56 -04:00
Axel Kohlmeyer
400e91c22b added placeholder for AMD FirePro3D optimizations 2011-11-04 19:21:09 -04:00
Axel Kohlmeyer
fe583386ec import gpu library snapshot from mike brown 2011-11-04 19:17:12 -04:00
Axel Kohlmeyer
2e98904bba update makefile for coul/long/gpu 2011-11-04 18:31:54 -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
sjplimp
860bca7d5e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7181 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-24 17:49:51 +00:00
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
sjplimp
8d409d8f2e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7162 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:42:19 +00:00
sjplimp
10a6791ea2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7142 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 14:33:50 +00:00