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01503535f4
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remove unused symlinks
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2021-08-17 10:48:09 -04:00 |
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6ccdeafa78
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reformat with clang-format
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2021-08-17 10:22:42 -04:00 |
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42fadf55cf
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fix typos
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2021-08-17 10:05:58 -04:00 |
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0dbcb5dd66
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replace #define with constrexpr for better compiler error reports on integer constants
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2021-08-17 09:42:08 -04:00 |
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f24054f7b3
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test utils::fgets_trunc() with buffer size of exactly the length of string
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2021-08-17 09:41:19 -04:00 |
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e91185869d
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fix bug in utils::fgets_trunc(). closes #2878
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2021-08-17 09:38:12 -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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dad9942bb8
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Merge pull request #2869 from akohlmey/modify-add-returns-index
Have add_fix(), replace_fix() and add_compute() in Modify return class instance and refactor/simplify code
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2021-08-16 15:44:16 -04:00 |
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436d200a9a
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refactor file reader code
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2021-08-16 15:29:43 -04:00 |
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9e559de601
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pretty
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2021-08-16 15:21:51 -04:00 |
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56a74bbe3d
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refactor file reader code
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2021-08-16 15:21:38 -04:00 |
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6f46ac57b9
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plug small memory leak in pppm/gpu
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2021-08-16 13:50:43 -04:00 |
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7b873ffc0b
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add unit tests for ilp/graphene/hbn and kolmogorov/crespi/full
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2021-08-15 19:07:57 -04:00 |
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832f6499ed
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add suppression for OpenMP in newer GCC compilers
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2021-08-15 18:39:42 -04:00 |
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7efbdb24cc
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fix memory leak
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2021-08-15 18:39:21 -04:00 |
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e15c51c7e1
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correctly use global cutoff instead of per-type-pair cutoffs
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2021-08-15 17:44:22 -04:00 |
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cba8e8237a
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avoid memory leak with MPI-IO
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2021-08-13 06:25:21 -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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9cb8a6205e
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apply "no" argument correctly
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2021-08-13 06:24:39 -04:00 |
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a765cf373a
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update formatting
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2021-08-13 06:24:22 -04:00 |
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f08c249d40
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don't hide parameter with local variable
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2021-08-13 06:23:46 -04:00 |
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1abce8e821
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remove dead code
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2021-08-13 05:51:05 -04:00 |
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3bfb235070
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fix memory leak
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2021-08-13 05:50:53 -04:00 |
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3e99e24f41
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make calls to virtual functions from constructors explicit
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2021-08-13 05:50:44 -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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26c681cf73
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update for changes in base class
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2021-08-09 16:28:19 -04:00 |
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c8b7b8271d
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add missing dependency
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2021-08-09 16:28:03 -04:00 |
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1d98388129
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Merge branch 'modify-add-returns-index' of github.com:akohlmey/lammps into modify-add-returns-index
# Conflicts:
# src/GRANULAR/pair_gran_hooke_history.cpp
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2021-08-09 16:00:48 -04:00 |
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fe008b93d7
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remove obsolete line
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2021-08-07 10:33:26 -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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68c15ebf04
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refactor/simplify code due to changes in Modify
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2021-08-07 10:09:06 -04:00 |
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f23b04f9b6
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update Eigen3 to support the latest stable release 3.3.9
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2021-08-07 10:09:06 -04:00 |
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88604328f5
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workaround for PGI compilers
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2021-08-07 10:09:06 -04:00 |
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156790df2c
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apply changes to modify class
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2021-08-07 10:08:58 -04:00 |
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0b30f57812
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streamline code by using changes in Modify class
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2021-08-07 10:04:49 -04:00 |
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0d9344c9e2
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simplify
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2021-08-07 10:04:49 -04:00 |
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01f5b7e095
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when creating or replacing a fix or compute, return pointer to new instance
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2021-08-07 10:04:49 -04:00 |
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e789bf8925
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use temporary vector container to avoid explicit delete[]
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2021-08-07 10:04:49 -04:00 |
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0123f9290f
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update Eigen3 to support the latest stable release 3.3.9
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2021-08-06 18:59:56 -04:00 |
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06371629d6
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workaround for PGI compilers
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2021-08-06 18:44:42 -04:00 |
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c84e7a5040
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Merge pull request #2868 from akohlmey/collected-small-changes
Collected small changes
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2021-08-06 18:35:29 -04:00 |
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29bf3acd9e
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apply changes to modify class
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2021-08-06 18:34:32 -04:00 |
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03f9ef7de9
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add unique identifier to the history fix so the gran/*/history styles can be used multiple times with pair style hybrid
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2021-08-06 15:34:43 -04:00 |
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e9e6cdca1d
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using GPU package is not compatible with fix qeq variants
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2021-08-06 14:22:48 -04:00 |
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e29bd3d157
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update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
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2021-08-06 14:07:43 -04:00 |
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93465f98d8
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improve error message
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2021-08-06 13:55:53 -04:00 |
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aeef6e6773
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reformat with clang-format
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2021-08-06 13:55:53 -04:00 |
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8baaed5724
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use const std::string & instead of const char *. avoid exception in sfree()
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2021-08-06 13:55:53 -04:00 |
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a7d05cff09
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streamline code by using changes in Modify class
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2021-08-06 13:39:02 -04:00 |
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b16bca2f45
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simplify
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2021-08-06 13:39:02 -04:00 |
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