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Diffusion lammps (runner) Graph

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CommitAuthorDetailsCommitted
ab7ff21f9b30sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14008 f3b2605a-c512-4ea7… 
Sep 9 2015
3cf2e3fa2ef3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14007 f3b2605a-c512-4ea7… 
Sep 9 2015
9a80425dcc2fsjplimp
'' 
Sep 9 2015
807cb7200d25sjplimp
'' 
Sep 9 2015
942cce877bf8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14004 f3b2605a-c512-4ea7… 
Sep 9 2015
11d819482c2dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14003 f3b2605a-c512-4ea7… 
Sep 9 2015
6f4af86222d6stamoor
Updating minimum gcc version for kokkos 
Sep 9 2015
49f2b3132432Axel Kohlmeyer
add changes that makes testing the library interface tests work for C/C++ 
Sep 8 2015
acddfc7217e5Axel Kohlmeyer
include sw/gpu bugfix from trung 
Sep 8 2015
c7303a1c1d12sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14001 f3b2605a-c512-4ea7… 
Sep 8 2015
2fcc16335320Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 5 2015
40382cbda967athomps
Added atom jiggle to initial structure 
Sep 5 2015
7b30c20b6658athomps
Addings xy, xz, and yz strains for axial strain 
Sep 5 2015
ff299dbb7b88Axel Kohlmeyer
partial implementation of Info::is_active/available/defined() 
Sep 4 2015
59177115d23eAxel Kohlmeyer
added partial implementation for testing the library interface from C/C++ 
Sep 3 2015
7a06a4dc9f42Axel Kohlmeyer
update colvars to version from Sept 3rd 2015 
Sep 3 2015
8290af67ba58Axel Kohlmeyer
make using memory pointers after they are "destroyed" punishable by segfault 
Sep 3 2015
c503b8736d38Axel Kohlmeyer
undo cosmetic differences between LAMMPS-ICMS and LAMMPS 
Sep 3 2015
31a8e6220b6cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 3 2015
da3605120c57Axel Kohlmeyer
Merge branch '2sep-patch' into lammps-icms 
Sep 3 2015
1bc274e5e126sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13996 f3b2605a-c512-4ea7… 
Sep 3 2015
daff294b03dfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13995 f3b2605a-c512-4ea7… 
Sep 3 2015
4be16166e9b2sjplimp
'' 
Sep 3 2015
f35b63f278c6sjplimp
'' 
Sep 3 2015
a3017bc09291sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13992 f3b2605a-c512-4ea7… 
Sep 3 2015
ba4250483808sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13991 f3b2605a-c512-4ea7… 
Sep 3 2015
7420059d7687sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13990 f3b2605a-c512-4ea7… 
Sep 3 2015
5597014cc7d4Axel Kohlmeyer
print a more meaningful message when dangerous builds are not checked 
Sep 2 2015
41c8276e61f1Axel Kohlmeyer
fix nasty restart reading bug. 
Sep 2 2015
0c517447cfadAxel Kohlmeyer
anticipate 3 Sep 2015 patch 
Sep 2 2015
8bc71f43ff61Axel Kohlmeyer
add example with passing cmdline flags to the LAMMPS instance 
Sep 2 2015
7df1d7a4b804sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13988 f3b2605a-c512-4ea7… 
Sep 2 2015
36b34c8cf4c9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13987 f3b2605a-c512-4ea7… 
Sep 2 2015
ae980d6fd1f7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7… 
Sep 2 2015
fbf69990dbb4sjplimp
'' 
Sep 2 2015
a6b9148a1ea1sjplimp
'' 
Sep 2 2015
047be536bc3fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7… 
Sep 2 2015
24073fb8cd3dAxel Kohlmeyer
anticipate changes from upcoming patch 
Sep 2 2015
3f79c91279basjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13981 f3b2605a-c512-4ea7… 
Sep 2 2015
16ded230f49dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13980 f3b2605a-c512-4ea7… 
Sep 2 2015
36018a3c4374sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13975 f3b2605a-c512-4ea7… 
Sep 2 2015
f30268224552Axel Kohlmeyer
correct ordering of command line arguments for python tests 
Sep 2 2015
609f84cf747aAxel Kohlmeyer
we must not cause non-zero exist status in .travis.yml. use relative path for… 
Sep 2 2015
5887a95e580dAxel Kohlmeyer
add running actual python code with the previously compiled library 
Sep 2 2015
ea15509fcc85Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Sep 2 2015
354af812664cAxel Kohlmeyer
add clean target to python module test dir 
Sep 2 2015
96a941c6b53eAxel Kohlmeyer
add maintain list of files to ignore 
Sep 2 2015
bf07465617e7Axel Kohlmeyer
add integration testing for python module 
Sep 2 2015
515edd8c7cc5Axel Kohlmeyer
missing escape for a backslash 
Sep 2 2015
0b3c75febdd6Axel Kohlmeyer
output neigh_modify one and neigh_modify page settings for neighbor lists 
Sep 1 2015
e07cb4331c55Axel Kohlmeyer
fix typo 
Sep 1 2015
20f3beef3b46Axel Kohlmeyer
include compute rdf update from bernard beckerman 
Sep 1 2015
ca840c0f9f10Axel Kohlmeyer
add test to also build the shared library when building the serial executable 
Sep 1 2015
e36993cc8415Axel Kohlmeyer
h5md library should be compiled with -fPIC by default 
Sep 1 2015
2dcdb8e73787Axel Kohlmeyer
document the added API of the library interface 
Sep 1 2015
233a9edfa848Axel Kohlmeyer
expose numetical version id to library and python interface 
Sep 1 2015
a91a75bb0d7dAxel Kohlmeyer
remove excess printf() argument from loop output 
Sep 1 2015
a7bbf3b19bf8Axel Kohlmeyer
document new version constant variable 
Sep 1 2015
94ab3a936c8bAxel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Sep 1 2015
77ab06d3eebaAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 1 2015
f3b15d6262e4Axel Kohlmeyer
add access to Universe::numver in info and variable 
Sep 1 2015
42c0a76c6617Axel Kohlmeyer
fix bugs in version string parser and output 
Sep 1 2015
b6c07bddc68cAxel Kohlmeyer
add code to compute and provide a "comparable" numeric version id in Universe 
Aug 31 2015
b15ee604a0acAxel Kohlmeyer
remove isdef() function. will be replaced with a more generic solution 
Aug 31 2015
bf608bb71a9aAxel Kohlmeyer
enforce that Universe::version is readonly 
Aug 31 2015
7f432adc625bAxel Kohlmeyer
make sure that pointer are set NULL, if not used (compute fep). 
Aug 31 2015
5c5df8956486stamoor
Fixing segfault in USER-FEP 
Aug 31 2015
14554c93af5astamoor
Fixing compile error in USER-OMP 
Aug 31 2015
31318401b6casjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13972 f3b2605a-c512-4ea7… 
Aug 31 2015
b2c90eb5d58cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 30 2015
4bd3fe89c88dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13971 f3b2605a-c512-4ea7… 
Aug 30 2015
1a435a401c17sjplimp
'' 
Aug 30 2015
c5ff6e645042sjplimp
'' 
Aug 30 2015
6e4f2fdf8290sjplimp
'' 
Aug 29 2015
21a6d444aac7sjplimp
'' 
Aug 29 2015
a25f4a52396fAxel Kohlmeyer
document "info communication" output 
Aug 29 2015
02b9eeed5f18Axel Kohlmeyer
adapt test inputs to "timers -> timer" command rename 
Aug 29 2015
ecd3cd9dcc39Axel Kohlmeyer
we cannot access comm after it has been deleted 
Aug 29 2015
4dba9d494b4eAxel Kohlmeyer
delete obsolete doc file 
Aug 29 2015
735f0a2f10c1Axel Kohlmeyer
remove bogus files 
Aug 29 2015
70ad223e2a5aAxel Kohlmeyer
fix stupid typo 
Aug 29 2015
f09f1658d0b5Axel Kohlmeyer
adjust for timers -> timer rename 
Aug 29 2015
d38957c1c0b5Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into merge-upstream 
Aug 29 2015
a6a64f3790f1Axel Kohlmeyer
fix typo 
Aug 29 2015
62ca7bdadd37Axel Kohlmeyer
undo generic exception handler. 
Aug 29 2015
c20049b583fesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13965 f3b2605a-c512-4ea7… 
Aug 29 2015
d95acaced031sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13964 f3b2605a-c512-4ea7… 
Aug 29 2015
34c599b125f1sjplimp
'' 
Aug 29 2015
4d13f3d33da9sjplimp
'' 
Aug 29 2015
f945c6d79a3esjplimp
'' 
Aug 29 2015
fa37609d36d6sjplimp
'' 
Aug 29 2015
272640d9dfc8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13958 f3b2605a-c512-4ea7… 
Aug 29 2015
546ccbe611a9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13957 f3b2605a-c512-4ea7… 
Aug 29 2015
c9188c00959esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13956 f3b2605a-c512-4ea7… 
Aug 29 2015
90a3eb3ae755sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13955 f3b2605a-c512-4ea7… 
Aug 29 2015
59520bb5d257sjplimp
'' 
Aug 29 2015
a47262d20984sjplimp
'' 
Aug 29 2015
6b854b397c17sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13952 f3b2605a-c512-4ea7… 
Aug 29 2015
4e247c3b8cc1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13951 f3b2605a-c512-4ea7… 
Aug 29 2015
0f3d77ed7509sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13950 f3b2605a-c512-4ea7… 
Aug 29 2015
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