Diffusion lammps (lammm-master) History

lammps/src
lammm-masterab49ee4f1914912269f9463…

Oct 17 2013

fix embarrassing bug in unrolled force reduction
ab49ee4f1914
·Axel Kohlmeyer on Oct 17 2013, 00:06.

Oct 16 2013

fix for group selection bug discovered by oleg sergeev
be4ce3037282
·Axel Kohlmeyer on Oct 16 2013, 21:21.

Oct 15 2013

fix for bug reported by andrew jewett
719e322a7acd
·Axel Kohlmeyer on Oct 15 2013, 06:37.

Oct 10 2013

move write_dump into the main directory
78df47afa73d
·Axel Kohlmeyer on Oct 10 2013, 11:07.

Oct 9 2013

Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
2865cddb4fec
·Axel Kohlmeyer on Oct 9 2013, 21:47.
handle the case of dump modify options. split arguments with modify keyword
8f8545000c04
·Axel Kohlmeyer on Oct 9 2013, 21:46.
enable collective operations for explicit remap in pppm as well
9a62a6602f71
·Axel Kohlmeyer on Oct 9 2013, 12:04.
added code to use collective MPI operations for data remap in 3d-FFT
3c7da9308eef
·Axel Kohlmeyer on Oct 9 2013, 00:41.
added functions in MPI stub for improved remap. cleanup from jeff h
3250b3b4cc0c
·Axel Kohlmeyer on Oct 9 2013, 00:30.

Oct 7 2013

new variable style "getenv" to access environment variables
8b9d983baa37
·Axel Kohlmeyer on Oct 7 2013, 17:02.

Oct 6 2013

hashtable lookup bugfix
9251edb746ed
·Axel Kohlmeyer on Oct 6 2013, 22:23.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
b666b2b2bcdf
·Axel Kohlmeyer on Oct 6 2013, 18:34.
ignore recently added /omp styles
933dc0530528
·Axel Kohlmeyer on Oct 6 2013, 15:38.
setting environment variables differently for easy porting to mingw
ea913a741eb8
·Axel Kohlmeyer on Oct 6 2013, 14:17.
add missing cast
5024d0ca3f92
·Axel Kohlmeyer on Oct 6 2013, 13:15.
need to use _putenv() to be compatible with MinGW
bd952c767102
·Axel Kohlmeyer on Oct 6 2013, 13:04.
add setenv() emulation for windows
d965ff98e607
·Axel Kohlmeyer on Oct 6 2013, 12:24.
more files to ignore
ef83913ecd65
·Axel Kohlmeyer on Oct 6 2013, 00:34.

Oct 5 2013

remove files added to the incorrect directory
94539cb782b6
·Axel Kohlmeyer on Oct 5 2013, 23:46.
add coul/dsf/omp pair styles
ac35c46950a9
·Axel Kohlmeyer on Oct 5 2013, 23:45.
cleanup and corrections
4c6a5ef6f0ff
·Axel Kohlmeyer on Oct 5 2013, 23:41.
remove unused variables
38952a636910
·Axel Kohlmeyer on Oct 5 2013, 23:41.
remove excess whitespace
2b9713284c4b
·Axel Kohlmeyer on Oct 5 2013, 22:56.
added tersoff/omp style
0cc56656db65
·Axel Kohlmeyer on Oct 5 2013, 19:57.
add a shell setenv command
087056c03fd1
·Axel Kohlmeyer on Oct 5 2013, 19:44.
use open_potential() instead of fopen
ba9d5d475c3e
·Axel Kohlmeyer on Oct 5 2013, 19:24.
add zbl/omp pair style
2fed2809291b
·Axel Kohlmeyer on Oct 5 2013, 18:49.

Oct 4 2013

we should align memory on 64 byte boundaries to match cache line sizes
e42f82edac35
·Axel Kohlmeyer on Oct 4 2013, 17:25.
include explicit 8x loop unrolling for faster thread data reduction
0a7fbe653a26
·Axel Kohlmeyer on Oct 4 2013, 17:24.
re-enable the "timers" command that got somehow lost
30a6c8eec72e
·Axel Kohlmeyer on Oct 4 2013, 17:22.
Merge remote branch 'lammps-ro/master' into lammps-icms
b24a93d360ae
·Axel Kohlmeyer on Oct 4 2013, 13:15.
Added kmax/ewald keyword
7b71c0dfd5a8
·athomps on Oct 4 2013, 00:20.

Oct 3 2013

complete implementation of nm/cut styles for USER-OMP
21442a6221c3
·Axel Kohlmeyer on Oct 3 2013, 21:56.
add more nm/cut pair styles for USER-OMP (still incomplete)
fee8a8b3a68e
·Axel Kohlmeyer on Oct 3 2013, 20:33.
fix compilation issue due to new timer class in lammps-icms
5f2e89786f73
·Axel Kohlmeyer on Oct 3 2013, 15:00.
Merge remote branch 'lammps-ro/master' into lammps-icms
8edeead355d9
·Axel Kohlmeyer on Oct 3 2013, 13:48.
######################################################################## add…
cae2cbfa7508
·Axel Kohlmeyer on Oct 3 2013, 11:58.
properly order entries
1cedbf745484
·Axel Kohlmeyer on Oct 3 2013, 11:35.
more files to ignore
2345ca02f922
·Axel Kohlmeyer on Oct 3 2013, 10:58.
one more test
b618d0eb9bb2
·Axel Kohlmeyer on Oct 3 2013, 10:54.
test commit for debugging post update hook
23cc2e26a89d
·Axel Kohlmeyer on Oct 3 2013, 10:50.

Oct 2 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10848 f3b2605a-c512-4ea7…
5d8427bc5bea
·sjplimp on Oct 2 2013, 15:41.
Merge branch 'master' into lammps-icms
f3b6503ffa93
·Axel Kohlmeyer on Oct 2 2013, 13:12.

Oct 1 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10843 f3b2605a-c512-4ea7…
2a892f05d703
·sjplimp on Oct 1 2013, 16:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10842 f3b2605a-c512-4ea7…
35eb67c68ef8
·sjplimp on Oct 1 2013, 16:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10841 f3b2605a-c512-4ea7…
72d59c438d29
·sjplimp on Oct 1 2013, 16:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10840 f3b2605a-c512-4ea7…
7d0088da799b
·sjplimp on Oct 1 2013, 15:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10838 f3b2605a-c512-4ea7…
09d10121a0e7
·sjplimp on Oct 1 2013, 15:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10837 f3b2605a-c512-4ea7…
49550263e2ac
·sjplimp on Oct 1 2013, 15:44.

Sep 29 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
9714f43e5095
·Axel Kohlmeyer on Sep 29 2013, 18:38.

Sep 27 2013

Eliminated kmax=0 for triclinic
3356e5347620
·athomps on Sep 27 2013, 21:37.

Sep 25 2013

added append flag to log command
4609d2c71688
·Axel Kohlmeyer on Sep 25 2013, 14:05.

Sep 24 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
0fad40b8188e
·Axel Kohlmeyer on Sep 24 2013, 13:11.

Sep 23 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10829 f3b2605a-c512-4ea7…
4545b11a67d7
·sjplimp on Sep 23 2013, 23:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10825 f3b2605a-c512-4ea7…
99f67ba8bbe9
·sjplimp on Sep 23 2013, 19:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10824 f3b2605a-c512-4ea7…
995ec050cee4
·sjplimp on Sep 23 2013, 18:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10822 f3b2605a-c512-4ea7…
8b662e5d9534
·sjplimp on Sep 23 2013, 16:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10821 f3b2605a-c512-4ea7…
89d315e2c609
·sjplimp on Sep 23 2013, 16:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10820 f3b2605a-c512-4ea7…
7d8d8c22be6b
·sjplimp on Sep 23 2013, 16:33.

Sep 21 2013

bugfix for multi-threaded execution of pair style adp
1348d729e811
·Axel Kohlmeyer on Sep 21 2013, 23:59.
fix file pointer scoping bug
14f5763c2ead
·Axel Kohlmeyer on Sep 21 2013, 15:10.
fix restart bug in dpd/tstat
cad615e03a2a
·Axel Kohlmeyer on Sep 21 2013, 09:41.

Sep 19 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
68c0de719973
·Axel Kohlmeyer on Sep 19 2013, 13:54.

Sep 18 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10813 f3b2605a-c512-4ea7…
f8fe148cf48b
·sjplimp on Sep 18 2013, 19:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10811 f3b2605a-c512-4ea7…
6a189f3188ae
·sjplimp on Sep 18 2013, 19:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10808 f3b2605a-c512-4ea7…
505313c828ed
·sjplimp on Sep 18 2013, 18:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10806 f3b2605a-c512-4ea7…
d28e92e032b5
·sjplimp on Sep 18 2013, 18:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10805 f3b2605a-c512-4ea7…
23da8399c0b9
·sjplimp on Sep 18 2013, 16:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10804 f3b2605a-c512-4ea7…
0680636555a7
·sjplimp on Sep 18 2013, 16:05.
Merge remote branch 'lammps-ro/master' into lammps-icms
a471105ce495
·Axel Kohlmeyer on Sep 18 2013, 12:13.
bugfix for compute pe/atom w/o a kspace defined
4a756ed4539a
·Axel Kohlmeyer on Sep 18 2013, 09:13.

Sep 17 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10801 f3b2605a-c512-4ea7…
db8e27f9f057
·sjplimp on Sep 17 2013, 21:51.
Extended to cover all units styles
d11d8a4acb0f
·athomps on Sep 17 2013, 21:09.
Switched econv to use qqr2e
fe7ae37d52fa
·athomps on Sep 17 2013, 19:34.
Merge remote branch 'lammps-ro/master' into lammps-icms
0f7740818c8c
·Axel Kohlmeyer on Sep 17 2013, 13:00.
Added pair style ZBL
210045f4a519
·athomps on Sep 17 2013, 01:02.

Sep 13 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
00d9f400ba98
·Axel Kohlmeyer on Sep 13 2013, 12:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10778 f3b2605a-c512-4ea7…
45b4745d5531
·sjplimp on Sep 13 2013, 01:59.

Sep 12 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10766 f3b2605a-c512-4ea7…
f300e03ef61c
·sjplimp on Sep 12 2013, 20:37.
Remove "stdout" files.
2639347e904a
·jzimmer on Sep 12 2013, 20:15.

Sep 11 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8affd9162df9
·Axel Kohlmeyer on Sep 11 2013, 16:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10760 f3b2605a-c512-4ea7…
e5f496698656
·sjplimp on Sep 11 2013, 02:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10756 f3b2605a-c512-4ea7…
7172e4ced590
·sjplimp on Sep 11 2013, 01:42.

Sep 10 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10745 f3b2605a-c512-4ea7…
d3ad71c4c5c5
·sjplimp on Sep 10 2013, 18:19.
Merge remote branch 'lammps-ro/master' into lammps-icms
69b65ebdef67
·Axel Kohlmeyer on Sep 10 2013, 13:21.

Sep 9 2013

change interface to allow an nevery and an nprint parameter
1f096dddbfc4
·Axel Kohlmeyer on Sep 9 2013, 18:43.
global_freq should be initialized as well
6d809c81850d
·Axel Kohlmeyer on Sep 9 2013, 18:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10736 f3b2605a-c512-4ea7…
d774e222ef8e
·sjplimp on Sep 9 2013, 17:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10735 f3b2605a-c512-4ea7…
12f381d605d9
·sjplimp on Sep 9 2013, 17:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10734 f3b2605a-c512-4ea7…
41c15f902f60
·sjplimp on Sep 9 2013, 17:31.

Sep 7 2013

added implementation of countdown fix
f58a5053cf13
·Axel Kohlmeyer on Sep 7 2013, 22:55.
set a reasonable default for nevery.
afd02e3492a2
·Axel Kohlmeyer on Sep 7 2013, 19:35.

Sep 6 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
1b309253113b
·Axel Kohlmeyer on Sep 6 2013, 12:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10727 f3b2605a-c512-4ea7…
6a409dd2c972
·sjplimp on Sep 6 2013, 01:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10724 f3b2605a-c512-4ea7…
1f5ceac31982
·sjplimp on Sep 6 2013, 01:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10722 f3b2605a-c512-4ea7…
9a19777d4f0e
·sjplimp on Sep 6 2013, 00:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10721 f3b2605a-c512-4ea7…
48ee436059c0
·sjplimp on Sep 6 2013, 00:42.

Sep 5 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10720 f3b2605a-c512-4ea7…
83fb68d686b7
·sjplimp on Sep 5 2013, 23:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10719 f3b2605a-c512-4ea7…
5994980c73db
·sjplimp on Sep 5 2013, 20:36.
Merge remote branch 'lammps-ro/master' into lammps-icms
b46ddebe3eef
·Axel Kohlmeyer on Sep 5 2013, 14:02.

lammps/srclammm-masterab49ee4f1914912269f9463…

Oct 17 2013

Oct 16 2013

Oct 15 2013

Oct 10 2013

Oct 9 2013

Oct 7 2013

Oct 6 2013

Oct 5 2013

Oct 4 2013

Oct 3 2013

Oct 2 2013

Oct 1 2013

Sep 29 2013

Sep 27 2013

Sep 25 2013

Sep 24 2013

Sep 23 2013

Sep 21 2013

Sep 19 2013

Sep 18 2013

Sep 17 2013

Sep 13 2013

Sep 12 2013

Sep 11 2013

Sep 10 2013

Sep 9 2013

Sep 7 2013

Sep 6 2013

Sep 5 2013

lammps/src
lammm-masterab49ee4f1914912269f9463…