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cf3aee9083
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bond/react doc tweaks
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2018-12-03 20:12:38 -07:00 |
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45b6b4bf52
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Merge branch 'python-script-portability' into collected-post-stable-patches
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2018-12-03 19:47:37 -05:00 |
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be721fe75a
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more Install.py refactoring
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2018-12-03 19:47:10 -05:00 |
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4168855ba3
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reduce distracting nvcc (or rather ptxas) verbosity
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2018-12-03 19:27:03 -05:00 |
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4adbacf8e5
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Merge branch 'python-script-portability' into collected-post-stable-patches
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2018-12-03 19:14:47 -05:00 |
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d603d084c4
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Fix typo, whitespace cleanup
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2018-12-03 18:12:10 -05:00 |
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46c0be57de
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Restore deleted deps file (if deletion is intentional, please delete again)
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2018-12-03 18:08:27 -05:00 |
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db2c8887cf
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Merge branch 'python-script-portability' into collected-post-stable-patches
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2018-12-03 17:50:47 -05:00 |
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e5c555fa7d
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consolidate shared code from various Install.py files into install_helpers.py
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2018-12-03 17:50:20 -05:00 |
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ee82143a29
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more false positives to handle
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2018-12-03 16:21:18 -05:00 |
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a0bd1bd755
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fix typo
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2018-12-03 16:12:32 -05:00 |
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aeb7854aca
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update false positives list for newly added documentation
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2018-12-03 16:11:39 -05:00 |
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ac51d0fb89
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remove old versions of read_dump and rerun w/o parallel reading support
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2018-12-03 15:32:43 -05:00 |
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22f99be57e
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Merge remote-tracking branch 'github/read-dump-parallel' into collected-post-stable-patches
# Conflicts:
# src/read_dump.cpp
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2018-12-03 15:28:34 -05:00 |
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55077cea4d
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Merge branch 'lebedeva2' of https://github.com/zbych127/lammps into collected-post-stable-patches
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2018-12-03 15:24:31 -05:00 |
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98728cddbe
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Merge remote-tracking branch 'devel/python-script-portability' into collected-post-stable-patches
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2018-12-03 15:18:03 -05:00 |
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e1aff27cd4
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Merge remote-tracking branch 'devel/whitespace-cleanup' into collected-small-fixes
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2018-12-03 15:06:23 -05:00 |
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4af7e706d7
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correctly compute hash for temporary directory used by manual building
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2018-12-03 14:59:43 -05:00 |
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1c795a6be3
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remove trailing blanks
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2018-12-01 21:38:22 -05:00 |
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d14404254e
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check for illegally deleted atoms
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2018-12-01 15:18:11 -07:00 |
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4ec05a3389
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remove some more trailing whitespace
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2018-12-01 08:14:02 -05:00 |
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c69fc90588
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detect more incompatible setups for fix tune/kspace, and document
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2018-12-01 02:48:22 -05:00 |
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53e66dcd15
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bond/react: delete atoms
allows deleting of a user-specified set of atoms, based on topology
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2018-11-30 22:35:10 -07:00 |
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482e120af4
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Merge pull request #35 from lammps/master
rebase
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2018-11-30 21:36:01 -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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4e9b987fec
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bug fix in original read_dump for add keep atom count
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2018-11-29 15:54:14 -07:00 |
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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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