Commit Graph

60 Commits

Author SHA1 Message Date
1e9a4cc4b8 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Resolved Conflicts:
#	doc/Manual.html
#	doc/Manual.txt
#	src/REAX/fix_reax_bonds.cpp
#	src/REAX/fix_reax_bonds.h
#	src/REAX/pair_reax.cpp
#	src/USER-MGPT/pair_mgpt.cpp
#	src/USER-SMTBQ/pair_smtbq.cpp
#	src/lammps.cpp
#	src/timer.cpp
2015-10-31 10:54:08 -04:00
354e20f431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
187ba17f5a Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2015-04-02 13:28:41 -04:00
dc53071b60 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13354 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-04-01 14:41:46 +00:00
95e13af098 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	src/USER-EFF/compute_temp_eff.cpp
	src/USER-MISC/compute_temp_rotate.cpp
	src/compute_temp.cpp
2015-04-01 09:03:28 -04:00
536ae8000d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13349 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-31 22:02:12 +00:00
87d5920431 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13346 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-31 19:02:42 +00:00
a029b21f77 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 2015-03-31 08:20:54 -04:00
bd37304ade git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13332 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-30 23:17:06 +00:00
bff9402510 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 2015-01-28 09:06:33 -05:00
94cd2118c7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12994 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-27 23:55:36 +00:00
416f6c25e5 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2014-11-18 10:26:44 -05:00
b7ece0fb51 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12693 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-11-17 18:11:29 +00:00
4acacd8e3b Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	src/MISC/fix_efield.cpp
	src/fix_addforce.cpp
	src/fix_move.cpp
	src/fix_setforce.cpp
2014-05-08 08:49:17 -04:00
53db68362e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11935 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-07 14:30:27 +00:00
4fbf7105d6 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
	src/MAKE/Makefile.ubuntu
	src/USER-REAXC/pair_reax_c.cpp
	src/USER-REAXC/reaxc_allocate.cpp
	src/USER-REAXC/reaxc_init_md.cpp
	src/USER-REAXC/reaxc_list.cpp
	src/USER-REAXC/reaxc_multi_body.cpp
	src/USER-REAXC/reaxc_reset_tools.cpp
	src/USER-REAXC/reaxc_tool_box.cpp
	src/USER-REAXC/reaxc_traj.cpp
	src/USER-REAXC/reaxc_types.h
	src/USER-REAXC/reaxc_vector.cpp
	src/write_data.cpp
2014-05-03 08:13:28 -04:00
54633e6252 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11882 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 15:06:18 +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
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
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
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
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
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
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
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
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
819524ebd6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5932 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-13 21:40:14 +00:00
fbb475b9cd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-25 21:13:51 +00:00
60a5ec92ac remove executable file permissions where useless. 2010-11-04 18:17:44 -04:00
6d6a62213e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4321 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-06-18 19:49:25 +00:00
ea270d7cde remove unused variable. 2010-06-13 16:57:02 -04:00
6346fffd30 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4208 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-05-28 22:28:33 +00:00
8b6877e6d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3512 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-12-09 21:12:49 +00:00
6346e48601 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2967 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-07-02 20:53:24 +00:00
746690d402 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2958 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-07-02 18:01:55 +00:00
7940136d5d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2944 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-07-02 14:32:20 +00:00
c318361d2f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2937 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-07-01 20:28:37 +00:00
2d5a69385a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2902 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-26 18:23:16 +00:00
0cc1d090f4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-05 22:26:08 +00:00
903ddfe4a0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1657 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-21 00:34:03 +00:00
2e8b9cf4b4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1656 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-21 00:14:38 +00:00
a49e234a37 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1655 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-20 17:35:20 +00:00
4b237db3de git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1653 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-20 15:32:33 +00:00
08e197abc7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1652 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-20 15:07:44 +00:00