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c00f2adb42
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Merge pull request #1544 from akohlmey/collected-small-fixes
Collected small changes and bugfixes for the next patch release
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2019-07-05 20:33:55 -04:00 |
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e123b6f02e
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Merge pull request #1550 from ndtrung81/lj96-fixes
Fixed a bug in lj96/cut/gpu involving missing the special_lj factor
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2019-07-05 15:01:19 -04:00 |
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46a9772a6d
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Minor clean-up
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2019-07-05 12:12:29 -05:00 |
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49f27573a7
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Fixed a bug in lj96 involving missing the special_lj factor
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2019-07-03 23:44:33 -05:00 |
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6fc5810bb4
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with the refactored include handling we can allow include in if/then/else
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2019-07-02 01:31:19 -04:00 |
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b727f0b126
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Merge pull request #1537 from akohlmey/refactor-input-file-handling
Refactor input file processing flow of control
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2019-07-01 17:28:15 -04:00 |
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63fa63fb1c
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Merge pull request #1538 from dsbolin/gran_mods
Bug fixes to pair granular
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2019-07-01 17:27:55 -04:00 |
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f7329c0f43
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Merge pull request #1540 from stanmoore1/kk_snap
Port Recent SNAP changes to Kokkos
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2019-07-01 17:27:34 -04:00 |
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7547e1dae6
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make certain that the vector storage and the size_vector variable are consistent in computes
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2019-07-01 17:25:02 -04:00 |
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559c187964
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Update SNA::memory_usage()
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2019-07-01 08:20:48 -06:00 |
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61a7730bb5
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Merge branch 'master' of github.com:lammps/lammps into kk_snap
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2019-07-01 08:14:30 -06:00 |
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a8d4ac74fa
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Remove temporary ulist variable
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2019-07-01 08:13:53 -06:00 |
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e91539d4b5
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Cleanup
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2019-07-01 08:11:49 -06:00 |
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62bddd47ee
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limit number of nested include file levels to 16
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2019-07-01 00:01:41 -04:00 |
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33d3bd7a8d
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Merge pull request #1547 from rbberger/docs_fix
Workaround to make formatting of code blocks consistent
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2019-06-30 17:15:25 -04:00 |
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8fdba2ded1
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Merge pull request #1546 from stanmoore1/kk_update
Update Kokkos library in LAMMPS to v2.9.00
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2019-06-30 17:15:06 -04:00 |
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a720aedabc
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Workaround to make formatting of code blocks consistent
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2019-06-28 20:54:10 -04:00 |
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5e3a705911
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fix bug caused by a parameter shadowing a class variable
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2019-06-28 14:28:45 -04:00 |
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ea2e73119d
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Update Kokkos library in LAMMPS to v2.9.00
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2019-06-28 11:23:24 -06:00 |
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5eabc82024
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Restore lost changes
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2019-06-28 10:17:22 -06:00 |
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d918432047
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Fix issue with compute_duarray
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2019-06-28 09:54:24 -06:00 |
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73968f10d5
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Merge branch 'kk_snap' of ssh://github.com/stanmoore1/lammps into kk_snap
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2019-06-28 09:44:36 -06:00 |
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400af0edac
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Merge branch 'master' of github.com:lammps/lammps into kk_snap
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2019-06-28 09:02:07 -06:00 |
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df7c56d881
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use suffix compatible pair style matching when looking for ReaxFF pair style
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2019-06-28 05:28:54 -04:00 |
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1e2aeed2ac
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Remove no-op
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2019-06-27 08:53:58 -06:00 |
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60adaa24cb
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Remove redundant computation
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2019-06-27 08:52:34 -06:00 |
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7f342b1cd0
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Merge pull request #1539 from junghans/fix_include_for_ppc64le
add missing include needed on ppc64le
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2019-06-27 00:26:33 -04:00 |
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2be0fd6180
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Fix GPU issues
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2019-06-26 16:22:37 -06:00 |
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8c3d18520d
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add missing include needed on ppc64le
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2019-06-26 10:45:31 -06:00 |
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f1dfcaf514
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WIP
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2019-06-25 14:47:21 -06:00 |
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e08146c31f
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Allow twisting torque to be used without rolling torque in pair granular
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2019-06-25 12:06:18 -06:00 |
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8fd1aaba7e
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Merge pull request #1535 from evoyiatzis/class2
Implementation of inner/middle/outer compute methods for lj/class2/coul/long
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2019-06-25 06:00:06 -04:00 |
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50e76ff7a1
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restore virtual keyword and empty lines in comments
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2019-06-25 05:59:29 -04:00 |
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423eebda25
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restore header
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2019-06-25 05:57:48 -04:00 |
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f6842e643e
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Merge pull request #1525 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch
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2019-06-24 23:55:50 -04:00 |
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5f7c4fb668
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Merge pull request #1534 from uihsnv/archlinux_pkg
Archlinux install documentation
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2019-06-24 23:55:09 -04:00 |
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13237155c8
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make processing of Input::file(const char* filename) more like processing an include file
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2019-06-24 14:24:54 -04:00 |
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7f26862f98
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simplify nested include file handling
# Conflicts:
# src/input.h
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2019-06-24 14:16:51 -04:00 |
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826a14f54a
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add workaround for handline include files
# Conflicts:
# src/input.h
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2019-06-24 14:16:00 -04:00 |
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a36d2573cf
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make certain, we are not mixing cutoff and long-range coulomb when looking cutoffs
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2019-06-24 09:10:00 -04:00 |
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8b49cac86a
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correct dimensionality of cut_coul property in Pair::extract()
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2019-06-24 09:09:22 -04:00 |
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2159a8c44a
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Arch specific words
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2019-06-24 16:14:29 +05:30 |
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3e93881e44
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store compute_tally array in restart and read it back. fix memory leak.
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2019-06-24 05:28:54 -04:00 |
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171d74f2f2
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remove class member name clashes. Pointers contains infile so we rename other uses to inpfile
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2019-06-23 16:43:54 -04:00 |
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f31faafeec
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modification in the doc file of lj/class2 style
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2019-06-23 20:18:39 +02:00 |
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3b6cc29f64
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Implementation of inner/middle/outer compute methods for lj/class2/coul/long
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2019-06-23 20:16:25 +02:00 |
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58f9380c45
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Archlinux install documentation
Link to #1495
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2019-06-22 19:46:21 +05:30 |
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f190647ab4
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use snprintf() instead of sprintf() to avoid buffer overflows when copying style names
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2019-06-21 21:23:20 -04:00 |
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7a56a4be24
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add option to pair_modify to explicitly turn off F dot r
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2019-06-21 14:18:18 -04:00 |
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c79044c361
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Merge pull request #1531 from athomps/snap-yarray-tweak
Added NULL initialization for snaptr
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2019-06-21 10:38:43 -04:00 |
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