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2d45e3340f
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move sources and examples for smatb styles to SMTBQ package folders
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2022-04-27 15:14:02 -04:00 |
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585b14f08f
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fix memory leak
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2022-04-27 15:10:55 -04:00 |
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3cfae26b84
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update docs and make part of SMTBQ package
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2022-04-27 15:10:46 -04:00 |
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3b1165ccdc
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update files to be more compatible with LAMMPS' conventions and for code changes
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2022-04-27 15:02:32 -04:00 |
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75d42a87e5
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Merge branch 'develop' into Iximiel/develop
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2022-04-27 14:15:10 -04:00 |
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691ba89b6f
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Merge pull request #3234 from lammps/variable-vector-wildcard
add support for wildcards in variable vectors
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2022-04-26 18:21:46 -04:00 |
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1fcf82aeef
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Merge remote-tracking branch 'github/develop' into variable-vector-wildcard
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2022-04-26 17:54:32 -04:00 |
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56b4671cd8
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Merge pull request #3233 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2022-04-26 17:54:11 -04:00 |
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d8e98cb99d
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make tests more complex and add vector variable expansion
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2022-04-26 17:53:47 -04:00 |
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831caaa150
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Merge branch 'collected-small-changes' into variable-vector-wildcard
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2022-04-26 17:26:17 -04:00 |
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64fff417c3
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test more bound variants
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2022-04-26 17:25:27 -04:00 |
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7eb6c2652f
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update advanced utils tests. include test for expand args
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2022-04-26 16:16:44 -04:00 |
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7663fc6256
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correctly use "type" to detect executables/scripts
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2022-04-26 11:08:31 -04:00 |
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837f9040d8
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add tests for advanced utility functions that require a LAMMPS instance
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2022-04-26 09:30:34 -04:00 |
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4691ff06b5
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format
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2022-04-26 09:30:10 -04:00 |
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ba02d90bf1
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add test for new errorurl() utility function
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2022-04-26 09:29:57 -04:00 |
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fdb7dfdea7
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also remove mode from fix ave/correlate
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2022-04-25 17:04:04 -06:00 |
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e7a9073ccd
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remove discussion of mode
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2022-04-25 17:01:15 -06:00 |
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65978c33b6
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2 more doc pages
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2022-04-25 16:06:52 -06:00 |
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bb8e953fb5
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add support for wildcards in variable vectors
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2022-04-25 15:43:08 -06:00 |
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950b175fcd
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remove invalid [[noreturn]] attribute
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2022-04-25 16:23:48 -04:00 |
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8679266db8
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add container definitions for Fedora 36 and Ubuntu 22.04LTS
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2022-04-25 13:05:43 -04:00 |
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960d3faa5e
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Merge branch 'master' of github.com:z-gong/lammps into collected-small-changes
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2022-04-25 02:58:17 -04:00 |
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a5cd95d6c6
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Add comment for the units in compute/viscosity
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2022-04-25 06:23:54 +02:00 |
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28900925f4
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Fix the unit for fix/accelerate/cos
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2022-04-25 05:59:41 +02:00 |
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9c46acfd62
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fix parallel processing bug with shell mkdir command
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2022-04-24 23:23:01 -04:00 |
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45de998aa9
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Merge pull request #3231 from akohlmey/remove-error-docs-in-header
Remove error docs from header files
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2022-04-24 18:30:17 -04:00 |
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6cfbd73bcd
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add documentation for new error and warning policy
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2022-04-23 16:40:28 -04:00 |
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f7e7abc908
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fix uninitialized pointer bug
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2022-04-23 15:17:26 -04:00 |
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b4c3c479b7
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remove error docs from one more file
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2022-04-23 13:52:29 -04:00 |
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4d1bdb4741
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add python tool to detect and remove (if desired) error docs from headers
also document the tools in the manual.
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2022-04-23 13:52:12 -04:00 |
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78c10bac4a
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clang-format update
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2022-04-23 13:08:11 -04:00 |
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115962db88
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Merge branch 'develop' into remove-error-docs-in-header
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2022-04-23 12:46:54 -04:00 |
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ce5d8a578e
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Merge pull request #3228 from run-towards-the-future/develop
A pull request for an optimized ILP(ilp/graphene/hbn) potential
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2022-04-23 12:42:27 -04:00 |
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f970a9de6a
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Merge pull request #3219 from akohlmey/region-lookup-refactor
Region lookup refactor
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2022-04-23 11:33:01 -04:00 |
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67bcfe3b62
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remove unused code and variables, more programming style consistency
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2022-04-23 09:26:35 -04:00 |
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b55b9f5a6a
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removed request for ghost neighbor list
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2022-04-23 20:35:48 +08:00 |
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ef51fb7dea
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Fix bugs, Derives from PairILPGrapheneHBN instead of Pair
Improve the performance of pair style, ilp/graphene/hbn/opt
Updates to the OPT package
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2022-04-23 19:45:50 +08:00 |
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8fe0231b75
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Fix bugs, Derives from PairILPGrapheneHBN instead of Pair
Add a new pair style, ilp/graphene/hbn/opt
Updates to the OPT package
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2022-04-23 19:43:34 +08:00 |
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e1856dc708
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cosmetic
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2022-04-23 07:42:31 -04:00 |
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5da6fae9f6
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silence compiler warnings
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2022-04-23 07:35:18 -04:00 |
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69249e84e1
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adjust epsilon
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2022-04-23 07:35:00 -04:00 |
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8f019f4800
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doc fixes: spelling and links
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2022-04-23 07:34:44 -04:00 |
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d55e7f9e51
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Merge branch 'develop' into region-lookup-refactor
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2022-04-23 07:14:28 -04:00 |
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b1546a725c
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Merge pull request #3093 from Bibobu/Elastic_stress
Add compute born/matrix command to compute elastic stress
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2022-04-23 07:07:29 -04:00 |
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113fc0a77a
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Merge pull request #3227 from akohlmey/safer-data-file-parsing
Improve data file parsing and reported error messages
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2022-04-23 06:41:17 -04:00 |
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419b0f9494
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add missing curly brace
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2022-04-23 06:02:14 -04:00 |
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31470819c0
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Merge branch 'develop' into Elastic_stress
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2022-04-23 04:36:45 -04:00 |
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7bfa368d8d
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Merge pull request #2667 from ssande7/compute_temp_profile_dof
[BUGFIX] Collection of DoF-related fixes for compute temp/profile
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2022-04-23 04:31:38 -04:00 |
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c17845276a
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Derives from PairILPGrapheneHBN instead of Pair
Improve the performance of pair style, ilp/graphene/hbn/opt
Updates to the OPT packages
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2022-04-23 14:29:03 +08:00 |
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