Commit Graph

39 Commits

Author SHA1 Message Date
c64fbc3fcf protect from possible out-of-bounds accesses detected by GCC 5.1 2015-06-05 12:15:13 -04:00
0e04550043 massive patch to flag non-numeric input 2013-06-23 14:34:38 +02:00
34c103e2c9 Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
	doc/Manual.txt
	src/Depend.sh
2013-05-26 11:57:22 +02:00
db8eda0253 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9913 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-24 18:55:24 +00:00
6ce35d3003 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9530 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-02-19 15:01:59 +00:00
8dcefdcba1 remove collisions with definitions of vflag in fix classes 2013-02-19 13:13:48 +01:00
222322ed1b Merge branch 'master' into lammps-icms
Resolved Conflicts:
	doc/Manual.html
	doc/Manual.txt
2013-01-26 08:26:51 -05:00
c799bb03d5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9333 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-25 22:21:24 +00:00
af81896100 Merge branch 'master' into lammps-icms 2013-01-21 03:11:02 -05:00
2d6d2de507 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9299 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-18 20:39:12 +00:00
7866cd6a29 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9295 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-18 16:53:13 +00:00
9a0e9670fb Merge branch 'master' into lammps-icms
Resolved Conflicts:
	doc/Eqs/pair_gauss.jpg
	lib/cuda/Makefile.common
	lib/cuda/Makefile.defaults
	lib/cuda/Makefile.lammps
	lib/cuda/cuda_wrapper_cu.h
	lib/cuda/pair_cg_cmm_coul_cut_cuda.cu
	lib/cuda/pair_cg_cmm_coul_cut_cuda_cu.h
	lib/cuda/pair_cg_cmm_coul_debye_cuda.cu
	lib/cuda/pair_cg_cmm_coul_debye_cuda_cu.h
	lib/cuda/pair_cg_cmm_coul_long_cuda.cu
	lib/cuda/pair_cg_cmm_coul_long_cuda_cu.h
	lib/cuda/pair_cg_cmm_cuda.cu
	lib/cuda/pair_cg_cmm_cuda_cu.h
	lib/cuda/pair_cg_cmm_cuda_kernel_nc.cu
2012-10-12 08:46:39 -04:00
f75a81d1ea git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8927 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-09 16:02:05 +00:00
9266997555 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8925 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-10-09 15:51:01 +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
25e319f781 Merge branch 'master' into lammps-icms
Resolved Conflicts:
	doc/read_dump.txt
2012-06-02 14:37:18 -04:00
17be5191be git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8216 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-01 23:29:31 +00:00
7a71825837 Merge branch 'master' into lammps-icms 2012-05-04 15:02:18 -04:00
301022e272 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8036 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-05-03 14:57:51 +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
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
a0e2e04aed git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7202 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-10-26 14:42:52 +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
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
f62b317d37 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6452 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-20 16:42:39 +00:00
060fc976d6 fix bug in "fix wall/reflect" and sanitize enums
enums are not required to start at 0. now make it
explicit where the later code expects specific values.
2010-11-30 18:37:58 -05:00
7b516d0751 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5047 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-10-14 17:18:05 +00:00
544dde674b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5023 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-10-12 17:58:40 +00:00
e3c029753d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3633 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-01-08 22:54:13 +00:00
97cfbf8fb4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3508 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-12-04 21:03:54 +00:00
4251fad147 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3483 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-12-03 18:28:51 +00:00
db1dff352e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3457 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-30 16:15:35 +00:00
269211a302 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3436 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-18 16:51:03 +00:00
44d6971a0c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3434 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-18 16:23:15 +00:00
aed40ab158 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3432 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-18 16:01:25 +00:00
bc7b7e955d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3431 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-18 15:25:14 +00:00
5062206d36 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3427 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-11-18 00:59:12 +00:00