7c72ca1422
add support for comb pair style
2012-01-07 20:56:00 -05:00
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
edcd54b2eb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7433 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-06 17:36:55 +00:00
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
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
8a282d8b8a
updates to restart2data
...
- fix segfault when running without arguments
- add/correct support for pair styles:
coul/diel, coul/long, gauss, gauss/cut, lj/sdk,
lj/sdk/coul/long, rebo, tersoff/table
- avoid printing NULL pointers
2011-12-12 22:37:35 -05:00
5a03365db1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7179 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-24 17:46:58 +00:00
4c107e07a4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7017 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-30 16:03:38 +00:00
b806706398
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6972 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-15 14:26:58 +00:00
1ce29fc9a1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6656 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-08-08 23:10:20 +00:00
5d163c9505
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6469 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-23 14:09:25 +00:00
c6d9d554f0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6468 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-23 13:43:02 +00:00
fe953700a5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6461 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-22 13:41:43 +00:00
b303b5b852
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6338 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-08 20:23:37 +00:00
2be078632d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6052 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-05-02 15:02:09 +00:00
e2d5478a6c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5951 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-15 22:57:52 +00:00
17f9667059
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5933 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-13 21:40:28 +00:00
b2f9d754c2
Merge branch 'master' into lammps-icms
2011-02-16 08:59:23 -05:00
8b7754f68a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5646 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-02-15 19:26:53 +00:00
de4585af19
use preprocessing to include BIGINT_FORMAT
...
this reverts the output for bigint_t type variables
to the same style that is used now in LAMMPS and
avoids using sprintf().
2011-02-01 10:38:55 -05:00
fbe0cbe012
add some missing big integer format descriptors
...
synchronize BIGINT definition and format with lmptypes.h
2011-02-01 10:17:39 -05:00
fa493de199
Merge branch 'master' into lammps-icms
...
Conflicts resolved in following files.
lib/gpu/cmm_cut_gpu.cpp
lib/gpu/cmmc_long_gpu.cpp
lib/gpu/gb_gpu.cpp
lib/gpu/gb_gpu_memory.cpp
lib/gpu/lj96_cut_gpu.cpp
lib/gpu/lj_cut_gpu.cpp
lib/gpu/ljc_cut_gpu.cpp
lib/gpu/ljcl_cut_gpu.cpp
lib/gpu/pair_gpu_balance.h
lib/gpu/pair_gpu_device.cpp
lib/gpu/pair_gpu_device.h
src/GPU/fix_gpu.cpp
tools/restart2data.cpp
2011-01-13 13:14:47 -05:00
11e80405e1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5542 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-12 15:28:26 +00:00
e33cf00fb0
Merge branch 'master' into lammps-icms
2011-01-11 10:40:01 -05:00
663cd083d8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5523 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-11 00:43:41 +00:00
a47e493dfd
Merge branch 'master' into lammps-icms
...
Conflicts resolved in:
doc/Section_commands.html
src/USER-IMD/fix_imd.cpp
src/finish.cpp
2011-01-10 10:06:21 -05:00
15c856bcaa
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5502 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-07 17:58:43 +00:00
c531b460b4
Merge branch 'master' into lammps-icms
2011-01-05 12:36:24 -05:00
b414a4a22a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5464 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-04 19:49:15 +00:00
a69ca213b6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5461 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-04 19:22:15 +00:00
dd111e21d2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5460 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-04 19:21:40 +00:00
1226d999b4
Merge branch 'master' into lammps-icms
2010-11-25 10:24:09 -05:00
d4ada34579
Merge branch 'master' into lammps-icms
...
merge in gpu pair style update from master.
needed to resolve lots of whitespace conflicts.
2010-11-24 12:31:02 -05:00
d9b78fef10
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5293 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-11-24 14:10:29 +00:00
8ba792f112
Updating restart2data.cpp to reflect new GPU pair styles --- all changes courtesy of Axel.
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5292 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-11-23 21:28:42 +00:00
a37ad5addf
add support for dpd/tstat
2010-11-23 15:57:15 -05:00
17e6ef5f97
add a missing gayberne/omp entry
2010-11-23 15:37:39 -05:00
dd247a869a
restart2data support for gpu accelerated styles
2010-11-20 15:17:43 -05:00
b6444e36cd
Merge branch 'master' into lammps-icms
2010-11-18 13:29:46 -05:00
c5c8dbbf3f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5251 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-11-17 18:44:00 +00:00
b956107fc6
Merge branch 'master' into lammps-icms
2010-10-03 16:52:05 -04:00
a4b092afd8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4801 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-16 14:19:00 +00:00
e9f7f4813a
Merge branch 'master' into lammps-icms
2010-09-07 10:00:31 -04:00
a133ae5a4a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4703 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-06 17:21:59 +00:00
39aea46e4c
Merge branch 'master' into lammps-icms
2010-09-01 09:16:29 -04:00
9561f63b07
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4632 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-08-31 14:41:31 +00:00
049c863a9a
Merge branch 'master' into lammps-icms
2010-08-26 17:54:12 -04:00
74dc9c26f5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4596 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-08-25 17:38:29 +00:00
eb09b27064
continue writing data file for certain pair styles
...
if we have a system with pair styles that don't allow
or don't need writing of the parameters to the data
file, don't stop but print a warning and continue.
2010-07-17 20:25:46 -04:00
fc688a5d79
add support for /omp styles to restart2data.cpp
2010-06-04 20:11:55 -04:00
