lammps/srcefficient_neuronet
lammps/src
efficient_neuronet
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
a50793687861 | Axel Kohlmeyer | fix bug in recent dump changes for -DLAMMPS_BIGBIG | Aug 21 2016 | |||
2dd61ffedae2 | Axel Kohlmeyer | Merge branch 'valgrind_errors' of https://github.com/rbberger/lammps into merge… | Aug 21 2016 | |||
ebbed707c6cf | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 21 2016 | |||
d4891754c862 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15483 f3b2605a-c512-4ea7… | Aug 21 2016 | |||
6ccf4b452592 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15481 f3b2605a-c512-4ea7… | Aug 21 2016 | |||
bfba361f65f2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15480 f3b2605a-c512-4ea7… | Aug 21 2016 | |||
180776e4f702 | aaramoon | fix_bond_create_updated | Aug 17 2016 | |||
579c52771813 | Axel Kohlmeyer | fix indexing bugs in accessing compute and fix labels in fix ave/histo | Aug 17 2016 | |||
a27c2759b488 | Anders Hafreager | Remembering to clean up memory with new arrays in vashishta. | Aug 17 2016 | |||
233a1c3e84a3 | Anders Hafreager | Added 3-body neighbor list building for faster short range 3 body forces. | Aug 17 2016 | |||
08228bd62d12 | Anders Hafreager | Added tabulated version of vashishta potential | Aug 17 2016 | |||
c998f7b81fb7 | Richard Berger | Remove memory leak and unnecessary allocation | Aug 16 2016 | |||
054256cf0a85 | Richard Berger | Add missing initialization | Aug 16 2016 | |||
27d36f3f145b | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 14 2016 | |||
ac6f4f8a5672 | Axel Kohlmeyer | correct small (but harmless) logic error. | Aug 13 2016 | |||
650359087584 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15474 f3b2605a-c512-4ea7… | Aug 13 2016 | |||
2c9eef57d06a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15473 f3b2605a-c512-4ea7… | Aug 13 2016 | |||
eba3ad9abb37 | Axel Kohlmeyer | update colvars to version 2016-08-10 | Aug 13 2016 | |||
e338a2f38619 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 13 2016 | |||
60bf26bad9c6 | Axel Kohlmeyer | silence warnings about cases, that cannot happen | Aug 13 2016 | |||
63b41cb1390a | Axel Kohlmeyer | fix bug found by coverity scan | Aug 13 2016 | |||
ff933712b73f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15470 f3b2605a-c512-4ea7… | Aug 12 2016 | |||
bc7c97b88231 | Axel Kohlmeyer | remove duplicated statement | Aug 11 2016 | |||
c6ef337b2eb0 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 11 2016 | |||
2b052c2a9c8e | Axel Kohlmeyer | improve the weight assignment algorithm for compute time based balancing | Aug 11 2016 | |||
639ea6c39647 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7… | Aug 10 2016 | |||
aef16fed2a27 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 10 2016 | |||
de2b6cf6bde1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15465 f3b2605a-c512-4ea7… | Aug 9 2016 | |||
8d2fc6b14f39 | Axel Kohlmeyer | perform stage 2 of python2/3 compatibility conversion with futurize | Aug 9 2016 | |||
2495bee1d8b4 | Axel Kohlmeyer | process with futurize -1 to increase its portability. | Aug 9 2016 | |||
ad652c9b82b0 | Axel Kohlmeyer | port changes to lj/sf/dipole/sf to lj/sf/dipole/sf/omp | Aug 9 2016 | |||
0369d79c398a | Axel Kohlmeyer | change pair_coeff syntax for lj/sf/dipole/sf to be backward compatible and… | Aug 9 2016 | |||
6c8d3ed4e849 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7… | Aug 9 2016 | |||
ae691ab7865b | Axel Kohlmeyer | import updated pair lj/sf/dipole/sf files from sam genheden | Aug 9 2016 | |||
96e415ad8af4 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 9 2016 | |||
550be1d5129e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15462 f3b2605a-c512-4ea7… | Aug 8 2016 | |||
056ff192c619 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15459 f3b2605a-c512-4ea7… | Aug 8 2016 | |||
93554fac5e3e | Axel Kohlmeyer | plug small memory leak | Aug 7 2016 | |||
797c6dc2dd27 | Axel Kohlmeyer | remove upper limit for weigh factor on neighbor list and time weights | Aug 7 2016 | |||
5405622f3bda | Axel Kohlmeyer | add new imbalance module store, which allows to store weights in an atom… | Aug 7 2016 | |||
280aef55d2b7 | Axel Kohlmeyer | convert from using fix property/atom to using fix store | Aug 7 2016 | |||
b3bd35c7beef | Axel Kohlmeyer | whitespace cleanup | Aug 7 2016 | |||
fcba14a0aa97 | Axel Kohlmeyer | properly handle the case of neighbor lists never been computed before | Aug 6 2016 | |||
c00aa3c600c0 | Axel Kohlmeyer | plug small memory leak | Aug 6 2016 | |||
529417f86c4d | Axel Kohlmeyer | simplify and correct logic to pass weight to balancer algorithms | Aug 6 2016 | |||
6a519e5eefb5 | Axel Kohlmeyer | correct string hanlding with building custom property label | Aug 6 2016 | |||
4c26534245e2 | Axel Kohlmeyer | we cannot add a fix while creating a fix. move fix addintion to Fix::init() | Aug 6 2016 | |||
1da862b44077 | Axel Kohlmeyer | rewrote balancing to use per-atom data stored via fix property/atom | Aug 6 2016 | |||
4b3783d18c3d | Axel Kohlmeyer | custom property names should be compatible with string literals | Aug 6 2016 | |||
62443e27bc14 | Axel Kohlmeyer | Merge branch 'lammps-icms' into balance-refactor | Aug 6 2016 | |||
78b47137ba70 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 6 2016 | |||
decd072117f3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15455 f3b2605a-c512-4ea7… | Aug 5 2016 | |||
2d694f934e36 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15444 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 | |||
a93e6e83ed58 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15431 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 | |||
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 | |||
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 | |||
495ab323d1fd | Axel Kohlmeyer | remove unused function prototype | Aug 2 2016 | |||
5a81288329e1 | Axel Kohlmeyer | implement modified version of balance and fix balance according to steve's… | Aug 2 2016 | |||
7326f8852106 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15422 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 |
c4science · Help