Merge branch 'lammps-icms' of https://github.com/lammps/lammps into weighted_load_balance
Description
Description
Details
Details
- Committed
Iain Bethune <ibethune@epcc.ed.ac.uk> Jul 29 2016, 16:05 - Pushed
junge Oct 6 2016, 16:49 - Parents
- rLAMMPSfd8794f52a30: Set up branch with load balancing code from master
rLAMMPSba0147f747c2: Merge remote-tracking branch 'lammps-ro/master' into lammps-icms - Branches
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Merged Changes
Merged Changes
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
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 | |||
3080bb534113 | Axel Kohlmeyer | provide better informative messages when OMP_NUM_THREADS is not set or code was… | Jul 28 2016 | |||
6a953aec85fd | Axel Kohlmeyer | must clear sigma and gamma arrays to avoid valgrind errors when using dpd/tstat… | Jul 28 2016 | |||
33b26525a8b4 | Axel Kohlmeyer | we need to do a full force initialization before write_coeff can work due to… | Jul 28 2016 | |||
9ec0b15640c4 | Axel Kohlmeyer | processor grid is not initialized until the box is defined. | Jul 28 2016 | |||
056ffc90bd08 | Axel Kohlmeyer | silence compiler warning | Jul 28 2016 | |||
34d5c29bf50b | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 28 2016 | |||
e561aa052909 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15382 f3b2605a-c512-4ea7… | Jul 28 2016 | |||
a01058e7d27f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15381 f3b2605a-c512-4ea7… | Jul 28 2016 | |||
308461125e72 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15379 f3b2605a-c512-4ea7… | Jul 28 2016 | |||
a91dae3f2b81 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15378 f3b2605a-c512-4ea7… | Jul 28 2016 | |||
e8c5280ad9d6 | athomps | Added axes keyword | Jul 28 2016 | |||
5241c0326e4b | athomps | Added axes keyword | Jul 28 2016 | |||
ae255c847bf7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15375 f3b2605a-c512-4ea7… | Jul 28 2016 | |||
2479d8031cc8 | athomps | Fixed memory leak from rlist | Jul 27 2016 | |||
ac74863ab07f | Axel Kohlmeyer | denom_lj is used in some derived classes, so we need to initialize both… | Jul 27 2016 | |||
b72f2cbc323f | Axel Kohlmeyer | MPI send buffers should accept pointers to const data | Jul 27 2016 | |||
feff85c3551c | Axel Kohlmeyer | fix uninitialized data bug in fix shake | Jul 27 2016 | |||
54e4e7a92772 | Axel Kohlmeyer | correct use of MPI data types (always those fortran programmers...) | Jul 27 2016 | |||
6b79bbfaf39d | stamoor | Fixing Kokkos memory issue | Jul 27 2016 | |||
b09c2a0bf4d2 | Iain Bethune | Check the correct argument for dipole/dlm | Jul 27 2016 | |||
ef6ff80366a7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15372 f3b2605a-c512-4ea7… | Jul 27 2016 | |||
ee24be38cbc3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15371 f3b2605a-c512-4ea7… | Jul 27 2016 | |||
c1fc5aef12fa | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15370 f3b2605a-c512-4ea7… | Jul 27 2016 | |||
ddd85f006cc8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7… | Jul 27 2016 | |||
f0d1800734ed | Axel Kohlmeyer | Merge branch 'merge-pull-124' into lammps-icms | Jul 27 2016 | |||
80ef98f8ffa0 | Axel Kohlmeyer | Merge branch 'merge-pull-122' into lammps-icms | Jul 27 2016 | |||
671ca115f9d0 | Axel Kohlmeyer | rename dlm option to dipole/dlm and turn on dipole flag with it as well | Jul 27 2016 | |||
01e12e23c289 | Axel Kohlmeyer | Merge branch 'dlm' of https://github.com/ibethune/lammps into merge-pull-122 | Jul 27 2016 | |||
ef05a24f8773 | Axel Kohlmeyer | port optimizations from pair style lj/sf/dipole/sf to lj/sf/dipole/sf/omp | Jul 27 2016 | |||
6fd5b9b3ddf8 | Axel Kohlmeyer | Merge branch 'optimised_pair_lj' of https://github.com/ibethune/lammps into… | Jul 27 2016 | |||
46f034d1a8a4 | Iain Bethune | Added back in denom_lj variable, which is used by some subclasses in other… | Jul 27 2016 | |||
9b9c3416c6a8 | Iain Bethune | Doc updates for fix_nh (alongside existing update dipole keyword) | Jul 27 2016 | |||
6e050e243d39 | Iain Bethune | Add reference | Jul 27 2016 | |||
b99f255eed4f | Iain Bethune | Update doc for nve/sphere | Jul 27 2016 | |||
9670f5dedf68 | Iain Bethune | Remove the long_14* files, not relevant for this feature branch | Jul 27 2016 | |||
c3473f7ca805 | Axel Kohlmeyer | some small tweaks and fixes to fix_n*_sphere*.cpp files | Jul 26 2016 | |||
4a736370efde | Axel Kohlmeyer | Merge branch 'dlm' of https://github.com/ibethune/lammps into merge-pull-122 | Jul 26 2016 | |||
b928f98006d1 | Iain Bethune | Added optimised pair_lj_* code from master | Jul 26 2016 | |||
73db42104816 | Iain Bethune | DLM code from master | Jul 26 2016 |