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6c32058728
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adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
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2022-08-04 11:33:14 -04:00 |
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ad69c7d157
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simplify through using utils::strdup()
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2022-07-27 19:49:31 -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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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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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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aa4787f604
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complete region handling refactor
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2022-04-16 00:17:39 -04:00 |
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69d9c5187e
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refactor group access, enable and apply clang-format
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2022-04-15 15:29:43 -04:00 |
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74f2b67b1a
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no if statement required before delete[]
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2022-04-10 19:55:24 -04:00 |
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200b4f13c7
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use dynamic cast instead of c-style cast when casting from base type to derived class
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2022-04-10 18:18:06 -04:00 |
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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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c7a9a3e2f6
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simplify and replace use of XXXINT_FORMAT macros
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2022-03-30 16:13:38 -04:00 |
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080662683d
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use tokenizer to read neb initial replica files
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2022-03-22 20:54:42 -04:00 |
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1db981c784
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convert a few more styles to the new neighbor request API
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2022-03-08 18:20:28 -05:00 |
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de4a9f268e
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rename reverse communication calls
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2022-02-21 21:18:28 -05:00 |
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4c0192cae1
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rename forward communication functions for pair, fix, compute, and dump
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2022-02-21 21:15:10 -05:00 |
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06beb28d7d
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Apply override to Pair classes
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2022-01-21 16:13:49 -05:00 |
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ff3f762499
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Apply override to Fix classes
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2022-01-21 14:45:53 -05:00 |
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f83271aa40
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Apply override to Compute classes
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2022-01-21 13:23:36 -05:00 |
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c9776dad6f
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Apply override to Command classes
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2022-01-20 16:35:59 -05:00 |
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0099d2584b
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Apply override to Integrator classes
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2022-01-18 15:17:04 -05:00 |
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85433e8bd1
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use true/false instead of 1/0 detected and changed by clang-tidy
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2021-10-20 12:41:02 -04:00 |
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f392b089a4
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modernize
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2021-10-16 21:40:17 -04:00 |
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6a9bb577cf
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rename "zip" functions to "compress" functions. update related docs
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2021-10-07 12:38:11 -04:00 |
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a818be585d
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use portable functions from platform and utils namespaces
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2021-10-07 12:22:16 -04:00 |
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ec1a55b35b
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use platform code for reading/writing of compressed text file via a pipe
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2021-10-06 15:04:48 -04:00 |
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8b36061db4
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replace MPI_Wtime() with platform::walltime()
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2021-10-05 22:53:39 -04:00 |
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bca99f684f
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update list and order of include files from include-what-you-use analysis
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2021-09-18 14:16:48 -04:00 |
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c186b24292
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avoid segfaults due to uninitialized data
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2021-09-01 21:47:39 -04:00 |
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a901427ee0
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Merge pull request #2876 from akohlmey/address-lgtm-issues
Address code quality issues flagged by lgtm.com
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2021-08-17 08:53:09 -04:00 |
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eaedd9ad48
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fix output issues
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2021-08-13 06:24:57 -04:00 |
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0928c912c0
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fix memory leaks and reformat
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2021-08-13 05:50:03 -04:00 |
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42625a82d1
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simplify more code for creating fix instances using the improved APIs
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2021-08-07 10:09:06 -04:00 |
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5295bb5109
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fix refactoring bugs
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2021-08-05 12:20:20 -04:00 |
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9d162d865a
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move pimd to REPLICA
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2021-07-25 09:59:56 -04:00 |
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6571a84884
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move some styles around
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2021-07-09 16:54:00 -04:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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7fcd449864
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apply clang-format to all headers with some exceptions
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2021-05-14 19:16:07 -04:00 |
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d8291eea7b
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Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
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2021-05-11 21:49:48 -04:00 |
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ee546e2fa3
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Merge pull request #2758 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
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2021-05-11 19:31:12 -04:00 |
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c91563b797
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avoid uninitialized data issues detected by valgrind
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2021-05-10 03:37:20 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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8874f8a63b
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simplify with new error functions. replace static string buffers.
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2021-05-05 21:12:06 -04:00 |
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a1665fddc8
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next iteration of preparing for clang-format
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2021-04-30 13:51:14 -04:00 |
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980244dd0c
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add protection comments
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2021-04-27 22:31:01 -04:00 |
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7e7a448a08
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remove the old versions of the utility function and use the new
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2021-04-24 21:33:36 -04:00 |
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df7fe4431f
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make LAMMPS homepage URL and C++ indicator comments consistent
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2021-04-22 21:26:07 -04:00 |
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75579fc100
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take advantage of having the common Command base class to unify code paths
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2021-04-14 07:05:00 -04:00 |
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b53822da46
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provide Command base class in command.h for deriving command styles from
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2021-04-13 17:47:00 -04:00 |
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