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4ce68cf5fd
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added diagnostic info for memory and balance info
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2019-01-23 16:01:10 -07:00 |
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9de0262155
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added rendezvous via all2all
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2019-01-23 14:49:52 -07:00 |
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fd8130859b
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fix a small memory leak in SHAKE setup
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2018-12-19 17:40:35 -07:00 |
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e538fd5c6d
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added rendezvous alg to fix shake
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2018-12-12 17:14:56 -07:00 |
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7c3d6dc051
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propagate rendezvous changes to fix rigid/small
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2018-12-07 16:43:01 -07:00 |
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ece1aff7e9
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less comm version of special bonds rendezvous
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2018-12-07 15:46:27 -07:00 |
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2e0d69b005
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replace STL map with atom->map in special, better code comments
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2018-11-30 13:06:31 -07:00 |
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ab1c3f6498
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rendevous comm option for special bonds and fix rigid/small
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2018-11-30 11:54:48 -07:00 |
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67041a5446
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Merge pull request #1231 from lammps/update-log-files
Update log files for example inputs, part 1
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2018-11-30 11:07:44 -05:00 |
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f380a03a07
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Merge pull request #1237 from akohlmey/compute-mop-bugfix
Make compute stress/mop and stress/mop/profile compatible with per-atom masses
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2018-11-30 11:07:17 -05:00 |
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7b68655c4d
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remove trailing whitespace
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2018-11-30 08:00:08 -05:00 |
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dd84b5c975
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make compute stress/mop and stress/mop/profile compatible with per-atom masses
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2018-11-30 07:50:57 -05:00 |
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1f210a246e
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Merge pull request #1234 from lammps/read-dump-keep
bug-fix for miscounting atoms for read_dump add keep
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2018-11-29 18:33:45 -05:00 |
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5d2730f055
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update log files for rigid, shear, snap, srd, streitz, threebody, vashsista, and voronoi examples
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2018-11-29 18:22:18 -05:00 |
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e4ca5b1889
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Merge pull request #1232 from akohlmey/collected-small-fixes
First chunk of collected small fixes for the stable release
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2018-11-29 18:19:12 -05:00 |
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f92e61c58d
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bug-fix for miscounting atoms for read_dump add keep
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2018-11-29 15:37:58 -07:00 |
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cda3227b05
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plug memory leak in poems library
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2018-11-29 16:41:11 -05:00 |
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6705777f7b
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fix memory issue in POEMS library, where auxiliary data was cast to a data structure of different (smaller) size when deleting.
this commit adds support to a callback function that allows to delete aux data in the Tree with its native size.
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2018-11-29 16:34:41 -05:00 |
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4b8c6d40e2
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update log files for qeq and rdf-adf examples
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2018-11-29 15:15:14 -05:00 |
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46bf4b7efb
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update log files for peptide, peri, pour and python examples
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2018-11-29 14:51:25 -05:00 |
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cef4164460
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update log files for min, msst, nb3b, nemd, and obstacle examples
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2018-11-29 14:13:11 -05:00 |
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074a9663cb
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update log files for melt and micelle example
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2018-11-29 14:05:28 -05:00 |
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d67dad9d67
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update log files for meam examples
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2018-11-29 12:47:15 -05:00 |
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41e24f6e8b
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update log files for gcmc example
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2018-11-29 12:35:07 -05:00 |
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e3ddefb38b
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update docs and header for removed error message
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2018-11-29 02:03:56 -05:00 |
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ea6d8a5dca
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replace hard crash with disabling atom sorting, when no suitable binsize is found
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2018-11-29 01:38:04 -05:00 |
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09abc0c75a
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Fix memory leak in Variable::compute_atom
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2018-11-29 00:41:40 -05:00 |
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6be4ce7137
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found a new false positive word in docs with spellchecker
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2018-11-28 23:14:45 -05:00 |
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78f86d5f16
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silence compiler warning about singed vs. unsigned
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2018-11-28 22:23:09 -05:00 |
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cb2964af4c
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silence compiler warning about unused parameter
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2018-11-28 22:20:42 -05:00 |
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c42776e4e1
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ignore valgrind core dumps
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2018-11-28 21:22:46 -05:00 |
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c763916f9e
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update log files for granregion hugoniostat and indent examples
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2018-11-28 21:21:54 -05:00 |
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798f098e4a
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remove USER-OMP version of fix nphug, which had intermittant and difficult to track down memory corruption issues with multiple threads.
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2018-11-28 18:57:26 -05:00 |
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3508eca337
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make sure all local Tree pointers are initialized, either to a newly allocated Tree() or NULL
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2018-11-28 18:49:37 -05:00 |
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9646d4614f
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plug small memory leak in fix gcmc
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2018-11-28 18:45:32 -05:00 |
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48a408bb19
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update log files for friction example
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2018-11-28 18:42:48 -05:00 |
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a4d21370bf
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Merge pull request #1229 from invemichele/fix_plumed_memory_leak
fix plumed memory leak
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2018-11-28 16:42:16 -05:00 |
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9702899d1c
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Merge pull request #1228 from invemichele/fix_plumed_install
Fix bug in lib/plumed/Install.py, some small cleanup and support parallel compile of plumed sources
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2018-11-28 16:32:04 -05:00 |
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8e07aaf005
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update log files for ellipse and flow examples
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2018-11-28 16:16:19 -05:00 |
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4a8f1a7a08
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update log files for eim example
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2018-11-28 16:11:15 -05:00 |
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37289f7476
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update log files for dipole and dreiding example inputs. add running some MD steps for dreiding
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2018-11-28 16:07:12 -05:00 |
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3ce61c42d6
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update log files for crack and deposit examples
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2018-11-28 16:01:42 -05:00 |
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98c8f22046
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update log files for coreshell examples
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2018-11-28 15:56:58 -05:00 |
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296cab0b09
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update log files for controller example
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2018-11-28 15:40:14 -05:00 |
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ab924e4f1d
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update log files for comb examples
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2018-11-28 15:38:11 -05:00 |
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852916983a
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update logs for colloid example
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2018-11-28 14:53:29 -05:00 |
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d0a83e9e12
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update cmap example logfiles
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2018-11-28 14:51:19 -05:00 |
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2ed90c1669
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update log files for body examples
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2018-11-28 14:46:47 -05:00 |
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c428088554
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update logfiles for balance examples
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2018-11-28 14:40:20 -05:00 |
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77e7362168
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update log files for airebo and atm examples
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2018-11-28 14:28:20 -05:00 |
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