Diffusion lammps (master) History

History
master0f4a27ad8babb4a17109688…

Dec 24 2011

add c++ emacs cookies into all SCM managed headers
0f4a27ad8bab
·Axel Kohlmeyer on Dec 24 2011, 00:27.

Dec 22 2011

label our modified versions as LAMMPS-ICMS now
d3355b03dc0e
·Axel Kohlmeyer on Dec 22 2011, 18:05.
small optimization for PPPM::setup()
a12d3f98e2b4
·Axel Kohlmeyer on Dec 22 2011, 18:05.
Merge branch 'master' into openmp-master
c428171b86c4
·Axel Kohlmeyer on Dec 22 2011, 18:04.

Dec 20 2011

fix bug reported by mario orsi
9b7fbb59bd14
·Axel Kohlmeyer on Dec 20 2011, 16:34.
update for new files in user-omp
bd3fc1d6a99a
·Axel Kohlmeyer on Dec 20 2011, 02:37.
add pppm/proxy styles for class2 force field.
d0c092466472
·Axel Kohlmeyer on Dec 20 2011, 02:12.
re-add one more missing file
fef0e5069812
·Axel Kohlmeyer on Dec 20 2011, 02:01.
bugfix for pppm/proxy when using variable cell
00c655547601
·Axel Kohlmeyer on Dec 20 2011, 01:52.

Dec 19 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7381 f3b2605a-c512-4ea7…
9921d2078894
·sjplimp on Dec 19 2011, 19:29.
Added protection for zero atoms case
5a644b0e5de4
·athomps on Dec 19 2011, 17:39.

Dec 18 2011

bugfixes for change to Pair::extract()
a2b2ab658941
·Axel Kohlmeyer on Dec 18 2011, 02:55.
update GPU install/update scripts
10627e1a4e5d
·Axel Kohlmeyer on Dec 18 2011, 00:44.
re-add lost files
fe17fe1eb6ad
·Axel Kohlmeyer on Dec 18 2011, 00:41.
Merge branch 'master' into openmp-master
5acd732f061c
·Axel Kohlmeyer on Dec 18 2011, 00:40.

Dec 16 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7…
4f48544d4198
·sjplimp on Dec 16 2011, 22:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7377 f3b2605a-c512-4ea7…
70316a8f775e
·sjplimp on Dec 16 2011, 20:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7376 f3b2605a-c512-4ea7…
06f040f25df4
·sjplimp on Dec 16 2011, 20:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7375 f3b2605a-c512-4ea7…
d99b580613d6
·sjplimp on Dec 16 2011, 20:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7374 f3b2605a-c512-4ea7…
891740f4a2e0
·sjplimp on Dec 16 2011, 02:37.

Dec 15 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7372 f3b2605a-c512-4ea7…
432bb8a32320
·sjplimp on Dec 15 2011, 19:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7371 f3b2605a-c512-4ea7…
a704ddb697c0
·sjplimp on Dec 15 2011, 19:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7370 f3b2605a-c512-4ea7…
ee2ab8eac375
·sjplimp on Dec 15 2011, 18:45.
Merge branch 'master' into openmp-master
c26f383996b9
·Axel Kohlmeyer on Dec 15 2011, 15:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7369 f3b2605a-c512-4ea7…
59165f7114c0
·sjplimp on Dec 15 2011, 01:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7368 f3b2605a-c512-4ea7…
fb16c0eb301b
·sjplimp on Dec 15 2011, 01:27.
more files to ignore
faeacab3a2f6
·Axel Kohlmeyer on Dec 15 2011, 00:25.

Dec 14 2011

some bugfixes and cleanups for the last commit
b7d8d13c6236
·Axel Kohlmeyer on Dec 14 2011, 23:48.
OpenMP support for coul/wolf and born/coul/wolf
e84e73266326
·Axel Kohlmeyer on Dec 14 2011, 23:04.
atc bugfix
3e5c175a5bb4
·Axel Kohlmeyer on Dec 14 2011, 22:21.
Merge branch 'master' into openmp-master
93686ca6ab75
·Axel Kohlmeyer on Dec 14 2011, 18:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7367 f3b2605a-c512-4ea7…
6376eeec92e2
·sjplimp on Dec 14 2011, 18:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7366 f3b2605a-c512-4ea7…
f5c26abaa61a
·sjplimp on Dec 14 2011, 17:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7365 f3b2605a-c512-4ea7…
e79e5b975c26
·sjplimp on Dec 14 2011, 17:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7364 f3b2605a-c512-4ea7…
bac07b76cef2
·sjplimp on Dec 14 2011, 17:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7363 f3b2605a-c512-4ea7…
a86eeda9b364
·sjplimp on Dec 14 2011, 16:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7362 f3b2605a-c512-4ea7…
ea56c1ec97a0
·sjplimp on Dec 14 2011, 16:16.
bugfix for bugfix
d2bd36e1ef76
·Axel Kohlmeyer on Dec 14 2011, 03:21.

Dec 13 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7361 f3b2605a-c512-4ea7…
ad9fa0e18743
·sjplimp on Dec 13 2011, 23:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7360 f3b2605a-c512-4ea7…
8068e88f0ca4
·sjplimp on Dec 13 2011, 22:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7359 f3b2605a-c512-4ea7…
28b1e0de2bad
·sjplimp on Dec 13 2011, 22:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7358 f3b2605a-c512-4ea7…
25ea036d7df5
·sjplimp on Dec 13 2011, 22:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7357 f3b2605a-c512-4ea7…
62e304c0d325
·sjplimp on Dec 13 2011, 22:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7356 f3b2605a-c512-4ea7…
7e6755866f77
·sjplimp on Dec 13 2011, 21:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7355 f3b2605a-c512-4ea7…
37ed3d917e88
·sjplimp on Dec 13 2011, 21:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7354 f3b2605a-c512-4ea7…
ae6318ce2955
·sjplimp on Dec 13 2011, 21:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7353 f3b2605a-c512-4ea7…
b294de40f9f7
·sjplimp on Dec 13 2011, 21:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7351 f3b2605a-c512-4ea7…
eb04caa0548a
·sjplimp on Dec 13 2011, 19:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7350 f3b2605a-c512-4ea7…
3870fcb2917a
·sjplimp on Dec 13 2011, 19:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7348 f3b2605a-c512-4ea7…
eeb5ad77e617
·sjplimp on Dec 13 2011, 19:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7347 f3b2605a-c512-4ea7…
2f7c6cfb0deb
·sjplimp on Dec 13 2011, 19:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7346 f3b2605a-c512-4ea7…
47c30ce47cbf
·sjplimp on Dec 13 2011, 18:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7345 f3b2605a-c512-4ea7…
a866ec3edbd8
·sjplimp on Dec 13 2011, 18:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7344 f3b2605a-c512-4ea7…
dfdc3fe1a2d4
·sjplimp on Dec 13 2011, 18:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7343 f3b2605a-c512-4ea7…
3d36d38a5183
·sjplimp on Dec 13 2011, 18:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7342 f3b2605a-c512-4ea7…
9b72a103ea29
·sjplimp on Dec 13 2011, 16:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7341 f3b2605a-c512-4ea7…
8325ae695402
·sjplimp on Dec 13 2011, 16:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7340 f3b2605a-c512-4ea7…
86347b81e32f
·sjplimp on Dec 13 2011, 16:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7339 f3b2605a-c512-4ea7…
744efbc2cd5d
·sjplimp on Dec 13 2011, 16:56.
fix typo
82536bd3462a
·Axel Kohlmeyer on Dec 13 2011, 15:34.
updates to restart2data
8a282d8b8a16
·Axel Kohlmeyer on Dec 13 2011, 04:37.
add tersoff/table support
6282d92c3b67
·Axel Kohlmeyer on Dec 13 2011, 04:05.
more updates for coul/*, gauss and gauss/cut
ba2a67892add
·Axel Kohlmeyer on Dec 13 2011, 03:57.
more tests
2b57a5a2b6ad
·Axel Kohlmeyer on Dec 13 2011, 03:37.
need to ignore input file fragments, too.
6028bfec7f63
·Axel Kohlmeyer on Dec 13 2011, 02:58.
add test for lj/sdk and handle input file conversion
06b8c7ad359a
·Axel Kohlmeyer on Dec 13 2011, 02:57.
more scripts for restart test and first references
7aa9063e0f7a
·Axel Kohlmeyer on Dec 13 2011, 02:17.
first stab at restart test library
0af3a50ca2fb
·Axel Kohlmeyer on Dec 13 2011, 02:08.

Dec 12 2011

more files to ignore
0b97aa46bd9b
·Axel Kohlmeyer on Dec 12 2011, 03:49.
import tersoff/zbl bugfix from LAMMPS-ICMS
c252853d30cb
·Axel Kohlmeyer on Dec 12 2011, 02:43.
add fix spring/self enhancement from LAMMPS-ICMS
3b72d88e350a
·Axel Kohlmeyer on Dec 12 2011, 02:22.

Dec 11 2011

Merge branch 'master' into openmp-master
d7aab37be45e
·Axel Kohlmeyer on Dec 11 2011, 00:45.

Dec 10 2011

add documentation for FLD /omp styles.
7cb225f64a8b
·Axel Kohlmeyer on Dec 10 2011, 01:59.
more files to ignore
a1c0b66824c0
·Axel Kohlmeyer on Dec 10 2011, 01:52.
correct permissions
65bcbb90734b
·Axel Kohlmeyer on Dec 10 2011, 01:51.
update load balancing styles
4d9b004a4015
·Axel Kohlmeyer on Dec 10 2011, 01:50.
added OpenMP versions of some FLD pair styles
092b1c73b243
·Axel Kohlmeyer on Dec 10 2011, 01:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7336 f3b2605a-c512-4ea7…
adbeb0277bb2
·sjplimp on Dec 10 2011, 01:33.

Dec 9 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7335 f3b2605a-c512-4ea7…
43a79f1a5690
·sjplimp on Dec 9 2011, 23:45.
convert MPI stubs library to use C bindings
d08826bb5807
·Axel Kohlmeyer on Dec 9 2011, 21:45.
avoid memory leak when turning load balancing off
c97d2cac54ff
·Axel Kohlmeyer on Dec 9 2011, 21:08.
add documentation for load balancing
77d1c7cd36be
·Axel Kohlmeyer on Dec 9 2011, 20:47.
cleanup and simplification of load balancing support
7b3a54ed86ae
·Axel Kohlmeyer on Dec 9 2011, 20:16.
make verlet/split compatible with new timer class
18fca0812b1e
·Axel Kohlmeyer on Dec 9 2011, 19:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7334 f3b2605a-c512-4ea7…
58c001ef73d8
·sjplimp on Dec 9 2011, 17:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7333 f3b2605a-c512-4ea7…
5baa07d3afe1
·sjplimp on Dec 9 2011, 17:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7332 f3b2605a-c512-4ea7…
7060c62c8d43
·sjplimp on Dec 9 2011, 17:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7331 f3b2605a-c512-4ea7…
3ad813f0323b
·sjplimp on Dec 9 2011, 17:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7330 f3b2605a-c512-4ea7…
7eccb3b489b6
·sjplimp on Dec 9 2011, 16:44.
and another conflict issue fixed
333d86f4dda6
·Axel Kohlmeyer on Dec 9 2011, 15:43.
resolve one more merge conflict
084454855537
·Axel Kohlmeyer on Dec 9 2011, 15:41.
Merge branch 'master' into openmp-master
2b97a34844b2
·Axel Kohlmeyer on Dec 9 2011, 15:40.
fix link
a978a15c6481
·Axel Kohlmeyer on Dec 9 2011, 15:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7328 f3b2605a-c512-4ea7…
cb224643d789
·sjplimp on Dec 9 2011, 01:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7327 f3b2605a-c512-4ea7…
e354f748479e
·sjplimp on Dec 9 2011, 01:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7326 f3b2605a-c512-4ea7…
c92047aeb5ec
·sjplimp on Dec 9 2011, 01:44.
Merge branch 'master' into openmp-master
0c982d0f4a09
·Axel Kohlmeyer on Dec 9 2011, 01:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7325 f3b2605a-c512-4ea7…
5fa4f2eb2651
·sjplimp on Dec 9 2011, 00:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7324 f3b2605a-c512-4ea7…
62b27e591539
·sjplimp on Dec 9 2011, 00:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7323 f3b2605a-c512-4ea7…
650607a38bc0
·sjplimp on Dec 9 2011, 00:18.