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History Graph
Commit | Author | Details | Committed | ||||
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3fe162a42d13 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15437 f3b2605a-c512-4ea7… | Aug 5 2016 | ||||
9a9897cd447f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15436 f3b2605a-c512-4ea7… | Aug 5 2016 | ||||
290cbb9b9126 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 5 2016 | ||||
cd01e5855d2c | Axel Kohlmeyer | Merge branch 'lammps-icms' into balance-refactor | Aug 5 2016 | ||||
0f2e7241900b | Axel Kohlmeyer | create/use a ke compute instead of converting from temperature | Aug 4 2016 | ||||
a19ea3ee5e16 | Axel Kohlmeyer | remove unused variable | Aug 4 2016 | ||||
f4f8ce57a53e | Axel Kohlmeyer | port changes to dump file formatting from upstream to COMPRESS package | Aug 4 2016 | ||||
73368211c536 | Axel Kohlmeyer | fix bug introduced by steve. | Aug 4 2016 | ||||
88062030752a | Axel Kohlmeyer | Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… | Aug 4 2016 | ||||
ca1050f5875b | Axel Kohlmeyer | delete redundant code and add comment to avoid doing this in the future | Aug 4 2016 | ||||
0bffc1711e3e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15435 f3b2605a-c512-4ea7… | Aug 4 2016 | ||||
2a90afe7e9a1 | Axel Kohlmeyer | fix optional argument scanning bug | Aug 4 2016 | ||||
f884bb2c92ec | Axel Kohlmeyer | remove unused class member | Aug 4 2016 | ||||
71ef6fb4d95a | Axel Kohlmeyer | incorporate refactored weighting into fix balance | Aug 4 2016 | ||||
ecbbdc2e7ff0 | Axel Kohlmeyer | convert weight array from class member to local pointer to temporary storage | Aug 4 2016 | ||||
ad0633f7c142 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 4 2016 | ||||
d40de42af861 | Axel Kohlmeyer | proof-of-concept implementation for neighbor list based balancing with yet… | Aug 4 2016 | ||||
3f674e5062aa | Axel Kohlmeyer | re-factored balance command now works with group and time weights | Aug 4 2016 | ||||
677da2ea52d9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15432 f3b2605a-c512-4ea7… | Aug 3 2016 | ||||
a93e6e83ed58 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15431 f3b2605a-c512-4ea7… | Aug 3 2016 | ||||
efaa84a4eab8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15430 f3b2605a-c512-4ea7… | Aug 3 2016 | ||||
1f6518400e83 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15429 f3b2605a-c512-4ea7… | Aug 3 2016 | ||||
8ff0085cba09 | Axel Kohlmeyer | complete implementation for group based imbalance class | Aug 3 2016 | ||||
be6c086cb4c1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15428 f3b2605a-c512-4ea7… | Aug 3 2016 | ||||
a6ade15e60bb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15427 f3b2605a-c512-4ea7… | Aug 3 2016 | ||||
b3664c217b1e | Axel Kohlmeyer | port code from serial implementation to /omp version | Aug 3 2016 | ||||
c8072e95bb53 | Axel Kohlmeyer | apply NEIGHMASK in inner loops | Aug 3 2016 | ||||
38226b808685 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15426 f3b2605a-c512-4ea7… | Aug 3 2016 | ||||
362a26a3def0 | Axel Kohlmeyer | prototype implementation for extensible imbalance scheme | Aug 3 2016 | ||||
7faba0408985 | Axel Kohlmeyer | fix subtle 64-bit integer bug in fix print and fix store/state | Aug 3 2016 | ||||
b44492ee05ab | Axel Kohlmeyer | fix elusive uninitialized data bug reported by valgrind | Aug 2 2016 | ||||
bda51f2bacca | Axel Kohlmeyer | be a bit more paranoid about initializing data structures | Aug 2 2016 | ||||
81b83331090b | Axel Kohlmeyer | update to colvars library version 2016-08-01 | Aug 2 2016 | ||||
58e77eacc721 | Axel Kohlmeyer | Merge branch 'balance-by-time' into lammps-icms | Aug 2 2016 | ||||
f758a4f4d06f | Axel Kohlmeyer | make it so that dynamic load balancing only uses the timing since the last… | Aug 2 2016 | ||||
f14e9cee83da | Axel Kohlmeyer | minor tweaks and comment fixes | Aug 2 2016 | ||||
af224028a925 | Axel Kohlmeyer | improve c++-11 compliance. replace variable size stack allocation. | Aug 2 2016 | ||||
2e0b9cae2980 | Axel Kohlmeyer | whitespace cleanup | Aug 2 2016 | ||||
b635930cfd98 | Axel Kohlmeyer | Merge branch 'lammps-icms' into balance-by-time | Aug 2 2016 | ||||
cc487af9e494 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 2 2016 | ||||
9ea86965c57a | Axel Kohlmeyer | disable debug output and include bond cost as well | Aug 2 2016 | ||||
2a57dc6db460 | Axel Kohlmeyer | implement wall clock based load balancing cost function support | Aug 2 2016 | ||||
047f313356ba | Axel Kohlmeyer | undo changes to the group command related to load balancing | Aug 2 2016 | ||||
495ab323d1fd | Axel Kohlmeyer | remove unused function prototype | Aug 2 2016 | ||||
fdbce41887b0 | Axel Kohlmeyer | Merge branch 'balance-weight-by-group' into lammps-icms | Aug 2 2016 | ||||
76b8bbca8ea8 | Axel Kohlmeyer | update documentation according to the modified implementation based on iain… | Aug 2 2016 | ||||
5a81288329e1 | Axel Kohlmeyer | implement modified version of balance and fix balance according to steve's… | Aug 2 2016 | ||||
56502c7c0943 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15423 f3b2605a-c512-4ea7… | Aug 2 2016 | ||||
7326f8852106 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15422 f3b2605a-c512-4ea7… | Aug 2 2016 | ||||
1cdd1fd4f809 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15420 f3b2605a-c512-4ea7… | Aug 2 2016 | ||||
69513a29ab6a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15419 f3b2605a-c512-4ea7… | Aug 2 2016 | ||||
98aee0515239 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15418 f3b2605a-c512-4ea7… | Aug 1 2016 | ||||
e6c5898e5371 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15417 f3b2605a-c512-4ea7… | Aug 1 2016 | ||||
a9a8a599d0fd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15416 f3b2605a-c512-4ea7… | Aug 1 2016 | ||||
0995ab4b65c3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15415 f3b2605a-c512-4ea7… | Aug 1 2016 | ||||
ce5f17428184 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15414 f3b2605a-c512-4ea7… | Aug 1 2016 | ||||
fa856c7657ad | Axel Kohlmeyer | undo changes to Group class | Aug 1 2016 | ||||
aaac40dcb4d8 | Axel Kohlmeyer | Merge branch 'weighted_load_balance' of https://github.com/ibethune/lammps into… | Aug 1 2016 | ||||
ef2f16a240ae | Axel Kohlmeyer | more thorough checks on valid numbers when computing box/virial related… | Aug 1 2016 | ||||
a8f40013b79f | Axel Kohlmeyer | remove unused variable | Aug 1 2016 | ||||
e3eb61765260 | Axel Kohlmeyer | update several old input files to current syntax | Aug 1 2016 | ||||
11f772969f88 | Axel Kohlmeyer | correct typo | Jul 31 2016 | ||||
1d17eed48ca5 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 31 2016 | ||||
6ff87be84925 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15413 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
26622f2826fa | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15412 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
7ec3c90b86b0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15411 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
fd05571ee03e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15410 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
5b5f839265b4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15409 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
d3e47eef1cc1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15407 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
f9c6ec768b49 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15406 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
fb13763ef91d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15404 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
22fe3fd17875 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15403 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
58be921a0932 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15402 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
b5836fa49170 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15401 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
4eb6664ba8a2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15400 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
ee86bd2463f0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15399 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
94b4702bb1b3 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 30 2016 | ||||
edd6cb1f3e25 | Axel Kohlmeyer | correctly initialize natoms_original variable in ewald/disp and call qsum_qsq()… | Jul 29 2016 | ||||
638fb5c119e8 | Iain Bethune | Comments | Jul 29 2016 | ||||
326fde5f9fc7 | Axel Kohlmeyer | remove const qualifier that clashes with many MPI versions | Jul 29 2016 | ||||
fc7afc2242f2 | Iain Bethune | Docs for load balance changes | Jul 29 2016 | ||||
f609827de85b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15397 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
2ac26ab8ac39 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15396 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
3297fbeb26e9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15395 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
642c01a15088 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15394 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
b936d69f127a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15393 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
f486709150d5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15392 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
b8bf3ae5b0d7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15391 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
48cf74f49ee8 | Iain Bethune | Merge branch 'lammps-icms' of https://github.com/lammps/lammps into… | Jul 29 2016 | ||||
ba0147f747c2 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 29 2016 | ||||
f13ff2e1351f | Axel Kohlmeyer | update min_style docs about the limitations in hftn minimizer | Jul 28 2016 | ||||
e00d1baf1e31 | Axel Kohlmeyer | min style hftn doesn't seem to handle extra DOFs correctly | Jul 28 2016 | ||||
55a138cdca6a | Axel Kohlmeyer | add tests for anisotropic and triclinic box relaxation | Jul 28 2016 | ||||
a051e0807f61 | Axel Kohlmeyer | initialize box related global data to zero | Jul 28 2016 | ||||
111e47a137d3 | Axel Kohlmeyer | convert static const variables to in-class enum | Jul 28 2016 | ||||
cf2aa231f562 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15390 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
87b66263580f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15389 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
70bfc1c0979a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15388 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
c95ec24d1a7b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15387 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
f2f9fe0a6521 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15386 f3b2605a-c512-4ea7… | Jul 28 2016 |
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