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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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b631411985
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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 14:26:13 +08:00 |
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26ca371d93
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 23:47:49 -04:00 |
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79a7d2abf6
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remove error docs from header files
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2022-04-22 23:31:15 -04:00 |
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e49930df21
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Merge branch 'develop' into safer-data-file-parsing
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2022-04-22 23:13:39 -04:00 |
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471c728ac4
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Merge pull request #3224 from lammps/dynamic-groups
change update of dynamic groups to post_force location in timestep
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2022-04-22 23:11:17 -04:00 |
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cbefeeb677
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Merge pull request #3220 from athomps/specify-verlet
Explcitly state that fix nve uses velocity-Verlet integrator
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2022-04-22 23:10:48 -04:00 |
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8115e8a5a4
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Merge pull request #3226 from lammps/error-url
Add utility to print url with link to error message in online manual
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2022-04-22 23:10:21 -04:00 |
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9f9a5ca76f
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 22:53:02 -04:00 |
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9be8ef09a2
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Merge pull request #3229 from lammps/fix-adapt-angle
Fix adapt angle
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2022-04-22 22:44:18 -04:00 |
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97bfc0bb77
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avoid (unlikely) overflow
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2022-04-22 22:38:46 -04:00 |
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cf647347c9
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Merge branch 'develop' into safer-data-file-parsing
# Conflicts:
# src/atom.cpp
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2022-04-22 22:25:41 -04:00 |
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8e9cc0eb51
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Merge branch 'develop' into compute_temp_profile_dof
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2022-04-22 22:16:42 -04:00 |
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47564ab6bc
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 22:11:41 -04:00 |
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1319cb2cf5
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fix typo
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2022-04-22 22:08:13 -04:00 |
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aed7bafac0
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Merge pull request #3217 from akohlmey/atomvec-strings
Refactor Atom and AtomVec classes to use std::string and std::vector for setting up per-atom data
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2022-04-22 22:03:26 -04:00 |
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3a5ab301b2
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propagate changes from previous commit to other packages that were missing them
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2022-04-22 21:46:24 -04:00 |
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5aebd151b6
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Update compute_temp_profile.rst
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2022-04-22 18:47:13 -06:00 |
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16dd89c641
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Added qualifier to assertions + note about inhomogeneous rigid systems
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2022-04-23 10:30:44 +10:00 |
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78aec491ff
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Minor tweaks
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2022-04-22 17:32:26 -06:00 |
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a90c632ae2
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fix bug when no other post_force fixes are defined
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2022-04-22 17:10:56 -06:00 |
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48d8094d95
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Merge branch 'develop' into snap-inner-mod
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2022-04-22 16:54:21 -06:00 |
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2c71d0eea2
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Ported to KOKKOS, untested
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2022-04-22 16:43:19 -06:00 |
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f7cdfdd884
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remove debug in bitorsion
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2022-04-22 16:03:48 -06:00 |
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e43730bd74
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add chkttor method to bitorsions
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2022-04-22 15:30:16 -06:00 |
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01e7530902
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shorten URL message text
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2022-04-22 17:00:55 -04:00 |
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907bcd16a8
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Update compute_temp_profile.rst
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2022-04-22 14:21:57 -06:00 |
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