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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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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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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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c45008d803
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avoid possible deadlock scenario in fix deposit and fix pour
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2021-05-07 19:11:21 -04:00 |
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aa157e53c3
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make consistent with the rest of LAMMPS
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2021-05-07 19:10:36 -04:00 |
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8b8f06db63
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Simplify unittest-macos.yml
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2021-05-07 17:11:13 -04:00 |
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2e3073b16a
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Add ccache to MacOS GH actions build
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2021-05-07 17:09:38 -04:00 |
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b3083f1982
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Fixed issue with accessing type2frho array in eam energy kernels
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2021-05-07 13:43:58 -04:00 |
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147e561dca
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Update in.fix_python_invoke_neighlist example
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2021-05-07 12:51:58 -04:00 |
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51200de45d
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Use correct shape for 1d numpy arrays
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2021-05-07 12:51:49 -04:00 |
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69d081cd6a
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prefer system provided OpenCL library on macOS
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2021-05-07 09:28:13 -04:00 |
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09d59a981e
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fix typo reported on MatSci forum
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2021-05-07 07:23:52 -04:00 |
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b36cf85c31
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update Swig interface definition file with added APIs. reorder to match library.h.
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2021-05-06 20:50:21 -04:00 |
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b392b63224
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clarify non-mixing behavior
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2021-05-06 18:00:22 -04:00 |
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7b9d721c08
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fix typos
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2021-05-06 18:00:11 -04:00 |
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54884c978a
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Merge pull request #2742 from rbberger/offline_builds
Add tool to support offline builds
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2021-05-05 23:54:55 -04:00 |
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13fb03cf2c
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fix typo
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2021-05-05 23:22:05 -04:00 |
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bdbe773a08
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add documentation for offline building scripts
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2021-05-05 23:20:01 -04:00 |
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