Commit Graph

140 Commits

Author SHA1 Message Date
ceec8056fd fix up permissions 2013-03-05 09:53:36 +01:00
7b25847ee5 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.txt
2013-02-16 12:25:40 +01:00
79410e394f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9509 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-15 17:32:15 +00:00
3cd3e2febd Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.txt
	src/USER-OMP/pppm_cg_omp.cpp
	src/USER-OMP/pppm_cg_omp.h
	src/USER-OMP/pppm_omp.cpp
	src/USER-OMP/pppm_omp.h
	src/USER-OMP/pppm_tip4p_omp.cpp
	src/kspace.h
2013-02-13 13:56:03 +01:00
52b9d7d9b5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9464 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-12 23:43:36 +00:00
5c635d47eb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9455 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-12 23:09:54 +00:00
005af0243c next try at having thread safe temperature bias removal/restoration 2013-02-10 14:06:55 +01:00
71850a1518 Merge branch 'master' into lammps-icms 2013-01-16 03:09:08 -05:00
94a21c0d3d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9272 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-15 00:05:24 +00:00
4f2bdac177 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9271 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-14 15:59:49 +00:00
4b6667811e Merge branch 'master' into lammps-icms 2012-08-07 16:31:12 -04:00
48b22abf0b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8538 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-08-06 22:23:35 +00:00
48aa45f7f0 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
2012-06-07 16:42:38 -04:00
ef9e700545 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-06 22:47:51 +00:00
9bdacec22f Merge branch 'master' into lammps-icms
Resolved Conflicts:
	src/GPU/pppm_gpu.h
2012-02-14 09:42:03 -05:00
1217612ab6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-13 15:33:29 +00:00
f884a7ec85 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-01 16:27:41 +00:00
4df037aa3b use a namespace with static const to propagate fix flags safely. 2012-01-30 18:15:25 -05:00
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
006d63d78a Merge branch 'master' into lammps-icms
Resolved Conflicts:
	doc/Eqs/pair_coul_diel.jpg
	doc/Eqs/pair_gauss.jpg
	doc/Eqs/pair_tersoff_1.jpg
	src/KSPACE/fft3d.h
	src/comm.cpp
	src/comm.h
2011-12-31 19:37:59 -05:00
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
0f4a27ad8b add c++ emacs cookies into all SCM managed headers 2011-12-23 18:27:40 -05:00
891740f4a2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-16 01:37:13 +00:00
895680bd32 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7192 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-25 15:30:34 +00:00
c6bbdcfbf2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-24 20:28:02 +00:00
cb5b707c74 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7177 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-24 17:45:39 +00:00
ac909b6e18 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7157 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:13:28 +00:00
4322b98c8e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7156 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:11:00 +00:00
8287969efa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7155 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:10:28 +00:00
fd155252ea git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7154 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:09:45 +00:00
89a39c7425 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7148 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 15:01:42 +00:00
83b55b844c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7145 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-20 14:56:21 +00:00
15203cb792 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7039 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-06 17:55:48 +00:00
19e8c92a90 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-23 18:06:55 +00:00
aedbb28b6c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-30 20:10:18 +00:00
247a1551af git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6367 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-13 15:17:42 +00:00
147842df01 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6327 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-07 18:06:14 +00:00
bf1d550bfd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6265 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-31 22:51:15 +00:00
c6e661ddba git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6204 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-21 00:30:37 +00:00
bce09af7a3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6077 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-05 16:46:57 +00:00
ee769613d7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6041 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-29 21:05:35 +00:00
199c005d93 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6033 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-29 15:52:26 +00:00
71dcf37148 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6014 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-22 23:05:58 +00:00
b482468fb1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5981 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-19 22:19:47 +00:00
105ebaac24 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5978 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-19 20:57:30 +00:00
59495dcf54 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5975 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-19 18:52:48 +00:00
fb1e5c2389 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5974 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-19 00:09:41 +00:00
2f7aaf73f4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5972 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-18 22:16:24 +00:00
888bee024a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5956 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-16 20:03:44 +00:00
8ff0659bae git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5947 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-15 22:25:19 +00:00