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5591b0f33d
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Merge branch 'master' into smooth-gpu
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2021-05-11 23:59:14 -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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5cc3f88fcf
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changed author
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2021-05-12 00:57:41 +03:00 |
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442a829b1e
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changed author
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2021-05-12 00:40:38 +03:00 |
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5865ced9c7
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minor change
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2021-05-12 00:25:51 +03:00 |
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d3186b74f7
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updated
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2021-05-12 00:14:27 +03:00 |
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8f917b509b
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add test for querying the operating system info
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2021-05-11 15:24:04 -04:00 |
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5b8763c471
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Merge branch 'lammps:master' into smooth-gpu
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2021-05-11 22:22:33 +03:00 |
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fbe9240cf3
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add python unit test for GPU capabilities
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2021-05-11 15:17:43 -04:00 |
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94a646cd01
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new accelerator variant: GPU
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2021-05-11 22:17:29 +03:00 |
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c2ddce4c26
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new accelerator variant: GPU
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2021-05-11 22:13:37 +03:00 |
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228711f59b
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add GPU device query functions to library interface and its wrappers
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2021-05-11 14:59:49 -04:00 |
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ead311adf8
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replace variable length array on stack with std::unique_ptr()
this closes #2757
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2021-05-11 13:42:47 -04:00 |
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af6eae29d4
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reformat else statements
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2021-05-11 13:42:34 -04:00 |
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883d55f416
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skip running GPU test if there is no viable GPU device
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2021-05-11 13:42:25 -04:00 |
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1ae21f46ab
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revert change that introduced a bug
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2021-05-11 13:42:08 -04:00 |
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ecc9658cca
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Add context manager code to PyLammps
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2021-05-10 19:19:26 -04:00 |
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985fe9cd31
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Use fmt::gmtime in timer.cpp
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2021-05-10 19:09:44 -04:00 |
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0260674698
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Update .lgtm.yml
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2021-05-10 18:54:53 -04:00 |
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b4539fdac2
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Update CodeQL configuration
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2021-05-10 18:54:01 -04:00 |
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e1b2235d36
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Update py_nve.py
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2021-05-10 18:42:27 -04:00 |
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85acf0b067
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Remove unused imports
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2021-05-10 18:42:27 -04:00 |
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67660197a6
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Add missing configuration file for LGTM
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2021-05-10 18:42:27 -04:00 |
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38eb0fa29d
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Python: add context manager implementation
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2021-05-10 18:42:27 -04:00 |
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f375aab2c5
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Correct test name
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2021-05-10 18:42:27 -04:00 |
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feb0a49f2f
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Python: Make NeighList a subclass of object
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2021-05-10 18:42:27 -04:00 |
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51847f70f2
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Use fmt::localtime() in info.cpp
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2021-05-10 18:42:26 -04:00 |
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a687868c69
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finalize available GPU hardware introspection functions
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2021-05-10 16:34:27 -04:00 |
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3eef759bb1
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Merge pull request #2749 from akohlmey/varargs-message-warning
Make warning and info messages vararg compatible and implement "thermo_modify warn"
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2021-05-10 13:41:23 -04:00 |
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5895e960cb
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Merge pull request #2753 from akohlmey/update-pair-polymorphic
Refactor pair style polymorphic to use the TabularFunction class shared with pair style bop
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2021-05-10 12:58:49 -04:00 |
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fbdcfb2f72
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preliminary interface to detect whether a viable GPU is present
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2021-05-10 09:16:51 -04:00 |
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de3a49ac4f
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silence codeql warnings
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2021-05-10 03:48:55 -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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0a1c2b2a23
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update false positives
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2021-05-09 23:11:20 -04:00 |
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54b7baea7b
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more codeql recommendations
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2021-05-09 20:25:20 -04:00 |
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92fe1373a5
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fix bug
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2021-05-09 20:24:22 -04:00 |
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69a92a3e00
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apply some codeql recommendations
- remove unused imports
- avoid overlaps of variable names with keywords
- make some exception processing more explicit
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2021-05-09 19:52:31 -04:00 |
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6d9309b76d
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remove dead code
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2021-05-09 17:44:23 -04:00 |
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bffee8dd6a
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silence compiler warning
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2021-05-09 17:44:12 -04:00 |
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c9470c6baf
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update includes
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2021-05-09 11:33:53 -04:00 |
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48a425718a
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remove dead code
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2021-05-09 05:58:54 -04:00 |
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6cf85e0ae3
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replace variable length array with explicit new/delete
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2021-05-09 05:58:46 -04:00 |
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c1891dca82
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explicitly set vstring to None in case of exceptions
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2021-05-09 05:58:20 -04:00 |
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a4ea858bc2
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prevent overflow of memory usage accounting
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2021-05-09 00:46:49 -04:00 |
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10d7a9f553
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Merge pull request #2756 from akohlmey/collected-small-changes
Collected small changes and bugfixes for the next patch release
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2021-05-09 00:03:17 -04:00 |
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299ad3b37d
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work around bogus device overhead info in OpenCL
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2021-05-08 23:43:15 -04:00 |
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30068d4599
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make the output more fortran-like
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2021-05-07 20:14:28 -04:00 |
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86d4ec7a45
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Replace localtime() with thread-safe fmt::localtime()
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2021-05-07 19:53:18 -04:00 |
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b6b70b2033
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small tweak
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2021-05-07 19:51:13 -04:00 |
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d70932bcdd
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add note about cases where the number of warnings can be larger than the limit
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2021-05-07 19:46:25 -04:00 |
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