Diffusion lammps (lammm-master-deprecated) History

History
lammm-master-deprecatedb4f626fe1cd49f7324f5e19…

Sep 10 2015

some more simple tests added
b4f626fe1cd4
·Axel Kohlmeyer on Sep 10 2015, 17:29.
add some more tests from the OpenMP example library
cfbaae1ffa1c
·Axel Kohlmeyer on Sep 10 2015, 17:19.
add hooks for is_XXX() functions into variable processing
31505f7e9ecf
·Axel Kohlmeyer on Sep 10 2015, 14:37.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e9602ae36453
·Axel Kohlmeyer on Sep 10 2015, 12:43.
updated makefile for TACC stampede with Xeon Phi support
ffffb27c8e2f
·Axel Kohlmeyer on Sep 10 2015, 03:28.
update input for current code
5e861837d8d5
·Axel Kohlmeyer on Sep 10 2015, 02:31.
fix memory leak and NULL pointer dereference in dpd/omp and dpd/tstat/omp
62384bb1b8db
·Axel Kohlmeyer on Sep 10 2015, 02:31.

Sep 9 2015

add optional exit status argument to the quit command
b213e49672a3
·Axel Kohlmeyer on Sep 9 2015, 22:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14023 f3b2605a-c512-4ea7…
b1090f86898b
·sjplimp on Sep 9 2015, 16:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14022 f3b2605a-c512-4ea7…
8fe7c3d47f76
·sjplimp on Sep 9 2015, 16:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14021 f3b2605a-c512-4ea7…
ebbc55b98892
·sjplimp on Sep 9 2015, 16:04.
fix typo in CORESHELL installer script
ed7e90b5c18e
·Axel Kohlmeyer on Sep 9 2015, 13:26.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
d2e0d83dbd01
·Axel Kohlmeyer on Sep 9 2015, 12:23.
recognize more flags in Info::is_active()
0b09895596a6
·Axel Kohlmeyer on Sep 9 2015, 05:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14017 f3b2605a-c512-4ea7…
819dbd184ae6
·sjplimp on Sep 9 2015, 02:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14016 f3b2605a-c512-4ea7…
556bde6dc1b0
·sjplimp on Sep 9 2015, 02:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14015 f3b2605a-c512-4ea7…
abbf8d2878c8
·sjplimp on Sep 9 2015, 01:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14014 f3b2605a-c512-4ea7…
11fea8576926
·sjplimp on Sep 9 2015, 01:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14013 f3b2605a-c512-4ea7…
71054c590af3
·sjplimp on Sep 9 2015, 01:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14012 f3b2605a-c512-4ea7…
9aac00e7ed5c
·sjplimp on Sep 9 2015, 01:55.
''
fafba07dffc9
·sjplimp on Sep 9 2015, 01:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14010 f3b2605a-c512-4ea7…
63759a1e8583
·sjplimp on Sep 9 2015, 01:53.
''
c3e333c217cd
·sjplimp on Sep 9 2015, 01:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14008 f3b2605a-c512-4ea7…
ab7ff21f9b30
·sjplimp on Sep 9 2015, 01:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14007 f3b2605a-c512-4ea7…
3cf2e3fa2ef3
·sjplimp on Sep 9 2015, 01:50.
''
9a80425dcc2f
·sjplimp on Sep 9 2015, 01:50.
''
807cb7200d25
·sjplimp on Sep 9 2015, 01:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14004 f3b2605a-c512-4ea7…
942cce877bf8
·sjplimp on Sep 9 2015, 01:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14003 f3b2605a-c512-4ea7…
11d819482c2d
·sjplimp on Sep 9 2015, 01:37.
Updating minimum gcc version for kokkos
6f4af86222d6
·stamoor on Sep 9 2015, 00:13.

Sep 8 2015

add changes that makes testing the library interface tests work for C/C++
49f2b3132432
·Axel Kohlmeyer on Sep 8 2015, 22:48.
include sw/gpu bugfix from trung
acddfc7217e5
·Axel Kohlmeyer on Sep 8 2015, 16:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14001 f3b2605a-c512-4ea7…
c7303a1c1d12
·sjplimp on Sep 8 2015, 16:13.

Sep 5 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2fcc16335320
·Axel Kohlmeyer on Sep 5 2015, 12:54.
Added atom jiggle to initial structure
40382cbda967
·athomps on Sep 5 2015, 01:23.
Addings xy, xz, and yz strains for axial strain
7b30c20b6658
·athomps on Sep 5 2015, 01:17.

Sep 4 2015

partial implementation of Info::is_active/available/defined()
ff299dbb7b88
·Axel Kohlmeyer on Sep 4 2015, 23:29.

Sep 3 2015

added partial implementation for testing the library interface from C/C++
59177115d23e
·Axel Kohlmeyer on Sep 3 2015, 21:59.
update colvars to version from Sept 3rd 2015
7a06a4dc9f42
·Axel Kohlmeyer on Sep 3 2015, 19:33.
make using memory pointers after they are "destroyed" punishable by segfault
8290af67ba58
·Axel Kohlmeyer on Sep 3 2015, 15:47.
undo cosmetic differences between LAMMPS-ICMS and LAMMPS
c503b8736d38
·Axel Kohlmeyer on Sep 3 2015, 12:51.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
31a8e6220b6c
·Axel Kohlmeyer on Sep 3 2015, 12:26.
Merge branch '2sep-patch' into lammps-icms
da3605120c57
·Axel Kohlmeyer on Sep 3 2015, 12:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13996 f3b2605a-c512-4ea7…
1bc274e5e126
·sjplimp on Sep 3 2015, 02:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13995 f3b2605a-c512-4ea7…
daff294b03df
·sjplimp on Sep 3 2015, 02:19.
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4be16166e9b2
·sjplimp on Sep 3 2015, 02:14.
''
f35b63f278c6
·sjplimp on Sep 3 2015, 02:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13992 f3b2605a-c512-4ea7…
a3017bc09291
·sjplimp on Sep 3 2015, 02:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13991 f3b2605a-c512-4ea7…
ba4250483808
·sjplimp on Sep 3 2015, 02:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13990 f3b2605a-c512-4ea7…
7420059d7687
·sjplimp on Sep 3 2015, 02:08.

Sep 2 2015

print a more meaningful message when dangerous builds are not checked
5597014cc7d4
·Axel Kohlmeyer on Sep 2 2015, 23:34.
fix nasty restart reading bug.
41c8276e61f1
·Axel Kohlmeyer on Sep 2 2015, 23:25.
anticipate 3 Sep 2015 patch
0c517447cfad
·Axel Kohlmeyer on Sep 2 2015, 23:11.
add example with passing cmdline flags to the LAMMPS instance
8bc71f43ff61
·Axel Kohlmeyer on Sep 2 2015, 23:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13988 f3b2605a-c512-4ea7…
7df1d7a4b804
·sjplimp on Sep 2 2015, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13987 f3b2605a-c512-4ea7…
36b34c8cf4c9
·sjplimp on Sep 2 2015, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7…
ae980d6fd1f7
·sjplimp on Sep 2 2015, 22:41.
''
fbf69990dbb4
·sjplimp on Sep 2 2015, 22:41.
''
a6b9148a1ea1
·sjplimp on Sep 2 2015, 22:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7…
047be536bc3f
·sjplimp on Sep 2 2015, 22:39.
anticipate changes from upcoming patch
24073fb8cd3d
·Axel Kohlmeyer on Sep 2 2015, 22:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13981 f3b2605a-c512-4ea7…
3f79c91279ba
·sjplimp on Sep 2 2015, 21:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13980 f3b2605a-c512-4ea7…
16ded230f49d
·sjplimp on Sep 2 2015, 21:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13975 f3b2605a-c512-4ea7…
36018a3c4374
·sjplimp on Sep 2 2015, 16:04.
correct ordering of command line arguments for python tests
f30268224552
·Axel Kohlmeyer on Sep 2 2015, 03:46.
we must not cause non-zero exist status in .travis.yml. use relative path for…
609f84cf747a
·Axel Kohlmeyer on Sep 2 2015, 03:16.
add running actual python code with the previously compiled library
5887a95e580d
·Axel Kohlmeyer on Sep 2 2015, 01:03.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
ea15509fcc85
·Axel Kohlmeyer on Sep 2 2015, 01:01.
add clean target to python module test dir
354af812664c
·Axel Kohlmeyer on Sep 2 2015, 00:59.
add maintain list of files to ignore
96a941c6b53e
·Axel Kohlmeyer on Sep 2 2015, 00:54.
add integration testing for python module
bf07465617e7
·Axel Kohlmeyer on Sep 2 2015, 00:53.
missing escape for a backslash
515edd8c7cc5
·Axel Kohlmeyer on Sep 2 2015, 00:31.

Sep 1 2015

output neigh_modify one and neigh_modify page settings for neighbor lists
0b3c75febdd6
·Axel Kohlmeyer on Sep 1 2015, 23:54.
fix typo
e07cb4331c55
·Axel Kohlmeyer on Sep 1 2015, 23:53.
include compute rdf update from bernard beckerman
20f3beef3b46
·Axel Kohlmeyer on Sep 1 2015, 23:53.
add test to also build the shared library when building the serial executable
ca840c0f9f10
·Axel Kohlmeyer on Sep 1 2015, 17:42.
h5md library should be compiled with -fPIC by default
e36993cc8415
·Axel Kohlmeyer on Sep 1 2015, 17:00.
document the added API of the library interface
2dcdb8e73787
·Axel Kohlmeyer on Sep 1 2015, 16:40.
expose numetical version id to library and python interface
233a9edfa848
·Axel Kohlmeyer on Sep 1 2015, 16:31.
remove excess printf() argument from loop output
a91a75bb0d7d
·Axel Kohlmeyer on Sep 1 2015, 15:26.
document new version constant variable
a7bbf3b19bf8
·Axel Kohlmeyer on Sep 1 2015, 15:25.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
94ab3a936c8b
·Axel Kohlmeyer on Sep 1 2015, 13:14.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
77ab06d3eeba
·Axel Kohlmeyer on Sep 1 2015, 12:32.
add access to Universe::numver in info and variable
f3b15d6262e4
·Axel Kohlmeyer on Sep 1 2015, 00:03.
fix bugs in version string parser and output
42c0a76c6617
·Axel Kohlmeyer on Sep 1 2015, 00:03.

Aug 31 2015

add code to compute and provide a "comparable" numeric version id in Universe
b6c07bddc68c
·Axel Kohlmeyer on Aug 31 2015, 23:42.
remove isdef() function. will be replaced with a more generic solution
b15ee604a0ac
·Axel Kohlmeyer on Aug 31 2015, 23:42.
enforce that Universe::version is readonly
bf608bb71a9a
·Axel Kohlmeyer on Aug 31 2015, 22:10.
make sure that pointer are set NULL, if not used (compute fep).
7f432adc625b
·Axel Kohlmeyer on Aug 31 2015, 20:42.
Fixing segfault in USER-FEP
5c5df8956486
·stamoor on Aug 31 2015, 18:08.
Fixing compile error in USER-OMP
14554c93af5a
·stamoor on Aug 31 2015, 17:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13972 f3b2605a-c512-4ea7…
31318401b6ca
·sjplimp on Aug 31 2015, 15:32.

Aug 30 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
b2c90eb5d58c
·Axel Kohlmeyer on Aug 30 2015, 12:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13971 f3b2605a-c512-4ea7…
4bd3fe89c88d
·sjplimp on Aug 30 2015, 00:03.
''
1a435a401c17
·sjplimp on Aug 30 2015, 00:01.
''
c5ff6e645042
·sjplimp on Aug 30 2015, 00:01.

Aug 29 2015

''
6e4f2fdf8290
·sjplimp on Aug 29 2015, 23:58.
''
21a6d444aac7
·sjplimp on Aug 29 2015, 23:58.
document "info communication" output
a25f4a52396f
·Axel Kohlmeyer on Aug 29 2015, 14:07.
adapt test inputs to "timers -> timer" command rename
02b9eeed5f18
·Axel Kohlmeyer on Aug 29 2015, 13:08.

Historylammm-master-deprecatedb4f626fe1cd49f7324f5e19…

Sep 10 2015

Sep 9 2015

Sep 8 2015

Sep 5 2015

Sep 4 2015

Sep 3 2015

Sep 2 2015

Sep 1 2015

Aug 31 2015

Aug 30 2015

Aug 29 2015

History
lammm-master-deprecatedb4f626fe1cd49f7324f5e19…