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2da61d69a1
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Merge pull request #3289 from akohlmey/collected-small-changes
A few last minutes updates and fixes for the next patch release
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2022-06-02 20:16:39 -04:00 |
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90add188cb
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Merge pull request #3279 from schererc/develop
Addition of two new MANYBODY pair styles (sw/angle/table and threebody/table)
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2022-06-02 14:24:44 -04:00 |
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e214013a91
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tweak epsilon to avoid failure on FreeBSD
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2022-06-02 07:53:41 -04:00 |
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c028dcbdf7
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small tweak
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2022-06-01 22:14:04 -04:00 |
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217b070204
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add unit tests
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2022-06-01 15:31:49 -04:00 |
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9da3dd796a
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delete undesired default members instead of making them inaccessible
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2022-06-01 02:30:25 -04:00 |
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5abb6c76af
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small tweak
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2022-06-01 02:13:02 -04:00 |
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234b9f180a
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use clang-tidy and clang-format to update/modernize/simplify code
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2022-05-31 14:46:57 -04:00 |
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fa79a66734
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feof() returns non-zero not necessarily 1
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2022-05-29 19:53:11 -04:00 |
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90730f0d3c
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update windows version history
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2022-05-29 02:01:21 -04:00 |
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e2dd08a93e
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Better handle file- or path-names with spaces
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2022-05-28 04:55:10 -04:00 |
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0b3efa4dd6
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set masses from BOP potential files, update unit tests accordingly
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2022-05-28 04:45:52 -04:00 |
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dba9fdb1ef
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Merge branch 'develop' into collected-small-changes
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2022-05-26 06:37:24 -04:00 |
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43b57b8aa5
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update unit test reference data
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2022-05-23 20:14:10 -04:00 |
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bead819070
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changes missing from the previous commit
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2022-05-23 11:37:00 -04:00 |
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b461a49eee
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use _EXECUTABLE consistently instead of _BINARY
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2022-05-23 11:14:17 -04:00 |
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007588f9cb
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use GZIP executable variable name consistently
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2022-05-21 18:56:58 -04:00 |
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e3e849b266
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skip compressed file format tests if gzip executable is not found
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2022-05-21 07:37:25 -04:00 |
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eb4c1cd14f
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update attempt to hide hwloc pci bus warnings
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2022-05-19 07:28:57 -04:00 |
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b5830aae83
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suppress excessive warnings and undesired aborts with Intel LLVM compiler
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2022-05-18 21:43:09 -04:00 |
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6475d4b956
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Skip Fortran unittests if no Fortran MPI support is found
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2022-05-18 07:16:16 -04:00 |
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1466620750
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update googletest to the latest github commit
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2022-05-18 06:09:42 -04:00 |
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e7b9d03573
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crank up epsilon for tip4p/cut styles some more
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2022-05-18 00:28:42 -04:00 |
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d94bcd043b
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enforce using a single thread with Kokkos and SNAP or PACE
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2022-05-17 23:42:24 -04:00 |
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e94275391c
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Merge branch 'develop' into collected-small-changes
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2022-05-17 22:10:15 -04:00 |
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a5171beacd
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make lammps-shell test compatible with MULTI-CONFIG CMake builders
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2022-05-17 18:26:27 -04:00 |
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cebbd471cf
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tweak unit test epsilon for portability to MacOS /w ARM
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2022-05-17 17:15:42 -04:00 |
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d487ab10e2
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doc page and unittest tweaks
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2022-05-17 12:00:40 -06:00 |
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c0e5a03989
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update tests for delete_atoms
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2022-05-15 01:56:59 -04:00 |
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168d3bdd3c
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Correctly handle the case that the YAML python module is not installed
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2022-05-14 10:15:40 -04:00 |
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d4ea5ca49e
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more clang-tidy fixes after re-running it with added settings
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2022-05-14 07:18:05 -04:00 |
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2aa1c6975f
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fix typo
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2022-05-04 19:09:19 -04:00 |
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e897ab7611
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improve error messages
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2022-05-04 16:25:12 -04:00 |
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ba3aa8fab5
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remove NULL option for reset_timestep
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2022-05-04 16:21:06 -04:00 |
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81bb4bfc23
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Merge branch 'collected-small-changes' into add_set_time
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2022-05-04 15:49:14 -04:00 |
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059c84bf41
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Merge branch 'develop' into add_set_time
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2022-05-04 15:47:28 -04:00 |
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eec86c8038
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Merge branch 'develop' into collected-small-changes
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2022-05-04 15:45:38 -04:00 |
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61214b9a52
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Merge pull request #3243 from akohlmey/delete-by-variable
Implement variable option for delete_atoms
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2022-05-04 13:50:00 -04:00 |
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f8742d599b
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merge set_time command into reset_timestep
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2022-05-04 13:24:52 -04:00 |
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0bedff1ce0
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implement set_time command
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2022-05-03 13:15:52 -04:00 |
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257a070666
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add test for ellipsoid, check for special case of ellipsoid/prism
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2022-05-03 11:02:01 -04:00 |
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bd5858019e
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add minimal unit test for Region class
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2022-05-02 17:06:28 -04:00 |
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fef6c37ea7
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Merge pull request #3240 from akohlmey/ave-yaml-file-colname
Add support for custom column names and YAML format output to fix ave/time
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2022-05-02 11:45:50 -04:00 |
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672c063fd8
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add unit test for delete_atoms
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2022-04-29 22:33:15 -04:00 |
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47f62838db
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Merge branch 'develop' into electrode
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2022-04-29 14:37:48 -04:00 |
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b76594e551
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enforce only newton pair on with smatb pair styles. add unit tests
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2022-04-27 18:08:05 -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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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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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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