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3d46b084e8
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must include LAMMPS_MACHINE suffix when installing python package
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2021-02-08 11:08:00 -05:00 |
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b8282a1152
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search for python 3.9 as preferred version as well
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2021-02-08 11:07:13 -05:00 |
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01a05b88b4
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avoid memory leak in unit test fixture
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2021-02-08 10:43:18 -05:00 |
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c810cda64c
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must free MPI communicators created by MPI_Comm_split()
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2021-02-08 10:40:20 -05:00 |
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92605393f7
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correct initialization and memory leaks issues detected by valgrind
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2021-02-08 10:39:59 -05:00 |
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9cdacbdebd
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apply cast to first variable in sequence of multiplications
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2021-02-07 21:18:54 -05:00 |
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06e484d3e0
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make flags for supporting GPU archs consistent, add ampere consumer GPU arch
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2021-02-07 15:30:55 -05:00 |
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8134296311
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fix typo
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2021-02-07 09:39:07 -05:00 |
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5573d01079
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Use typecast to silence CodeQL warnings
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2021-02-06 18:18:52 -05:00 |
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1609c498bc
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avoid integer overflow when computing memory usage
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2021-02-06 18:15:48 -05:00 |
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779bbd0853
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avoid overflows when computing time or timestep related values
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2021-02-06 18:15:24 -05:00 |
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77402bdbc8
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avoid overflows when computing memory offsets and allocating memory
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2021-02-06 18:14:27 -05:00 |
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1380b7b142
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replace (temporary) long double with double.
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2021-02-06 18:04:41 -05:00 |
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26037982bc
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convert to double early when computing memory usage
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2021-02-05 19:42:40 -05:00 |
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12f49c4c89
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avoid overflow when computing memory address offsets on 64-bit machines
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2021-02-05 19:42:07 -05:00 |
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e223ea3784
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cast timestep related expressions to bigint before they can overflow
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2021-02-05 19:41:17 -05:00 |
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5036adeff0
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timestep processing functions must use bigint instead of int
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2021-02-05 19:23:05 -05:00 |
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19811077b7
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fix strdup() vs utils::strdup() bug
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2021-02-05 17:16:38 -05:00 |
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960713be3b
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make recent change to fix ti/spring docs use mathjax
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2021-02-05 17:01:28 -05:00 |
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c74c3b3f22
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update docs for mention CUDPP and MPS support with conventional make
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2021-02-05 16:50:59 -05:00 |
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fc8b8d8825
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disallow use of CUDPP with CUDA multiprocessor server
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2021-02-05 16:44:26 -05:00 |
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754a469a01
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add variable for handling cuda-mps-server
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2021-02-05 16:43:51 -05:00 |
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4166235be6
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synchronize settings with CMake support
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2021-02-05 16:43:18 -05:00 |
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ba8f7bf3d8
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address argument indexing bug reported by stan
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2021-02-05 13:56:47 -05:00 |
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47783aaa9c
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whitespace
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2021-02-05 13:56:06 -05:00 |
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5d75ae98a8
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Merge pull request #2583 from akohlmey/replace-strstr-w-strmatch
Simplify some internal string processing
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2021-02-05 13:34:24 -05:00 |
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1da995d2e3
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Merge pull request #2580 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2021-02-05 10:32:07 -05:00 |
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cf140e7893
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another case where using utils::strdup() reduces code massively.
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2021-02-04 18:19:57 -05:00 |
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8d68623b35
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silence compiler warnings with IBM XL compilers
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2021-02-04 18:08:41 -05:00 |
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cf427bcad8
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apply utils::strdup() in a few more cases
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2021-02-04 17:52:32 -05:00 |
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5c8bbb42f6
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replace variable name "string" with "text" to avoid confusion with std::string
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2021-02-04 17:33:54 -05:00 |
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24bf1e5b0c
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make use of utils::strdup()
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2021-02-04 17:33:02 -05:00 |
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ab697be9e7
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simplify using fmtlib
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2021-02-04 17:00:27 -05:00 |
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0f07215a2b
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add utils::strdup() convenience function
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2021-02-04 17:00:02 -05:00 |
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f5bf10e00f
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remove dead code
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2021-02-04 15:34:56 -05:00 |
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4e791ac4f7
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replace 'strstr(xxx,"x_") == xxx' with utils::strmatch("^x_")
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2021-02-04 15:20:43 -05:00 |
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11b2a1e1ac
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reorder package names to be in 2 groups (non-user, user) and each sorted alphabetically
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2021-02-04 14:58:49 -05:00 |
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3e07711739
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simplify using C++11 syntax
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2021-02-04 14:35:39 -05:00 |
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dadea34663
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reformat comment
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2021-02-04 14:35:39 -05:00 |
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5e29cba076
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replace Get_Time() with MPI_Wtime()
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2021-02-04 14:35:39 -05:00 |
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95e2214d96
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more typecasts to double to avoid 32-bit int overflows when computing memory usage
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2021-02-04 14:35:38 -05:00 |
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49ea762300
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Merge pull request #2571 from akohlmey/arg-info-class
Add ArgInfo class for simpler processing of compute, fix, and variable references
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2021-02-04 14:32:34 -05:00 |
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96f67ebeaa
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Merge pull request #2582 from ellio167/pair_kim_refactor
Small pair kim refactor to better support multiple run commands with different models
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2021-02-04 13:27:06 -05:00 |
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5256631bee
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test for correctly supporting the use of multiple calls to pair_style kim
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2021-02-04 11:28:38 -06:00 |
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302be3f946
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Fix typo
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2021-02-04 10:09:14 -06:00 |
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8da3bc9144
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Increment instance_me in pair_kim to ensure neighbor correct list updates
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2021-02-04 09:47:29 -06:00 |
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c9cf8b57f4
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Fix behavor of a 2nd call to 'pair_style kim ...' & a bug for parameter changes
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2021-02-04 09:45:08 -06:00 |
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8574a417fb
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Merge pull request #2579 from lammps/fix-ti-spring-doc
Clarify one of the outputs of fix ti/spring
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2021-02-04 05:50:35 -05:00 |
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c6c9c82f96
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ID strings are immutable, so make them const char * arguments
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2021-02-03 21:13:54 -05:00 |
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9f7dc78f86
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convert a few more styles to use ArgInfo
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2021-02-03 21:06:23 -05:00 |
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