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70b09a809d
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Bugfix from Trung for crashes in pppm/gpu without local atoms
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2021-09-15 17:23:12 -04:00 |
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36b3ee32a4
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simplify
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2021-09-15 16:46:33 -04:00 |
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3caa066c28
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simplify/optimize code
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2021-09-15 16:23:07 -04:00 |
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a8220a8502
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cosmetic changes
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2021-09-15 16:08:53 -04:00 |
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7d92d665e8
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use explicit scoping when virtual dispatch is not available.
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2021-09-15 16:08:17 -04:00 |
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65d8f7f964
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use cmath header instead of math.h
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2021-09-15 15:25:58 -04:00 |
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1fdba7280e
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small optimization
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2021-09-15 15:14:52 -04:00 |
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f01681eae7
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use symbolic constant
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2021-09-15 15:09:58 -04:00 |
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9c301822fd
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use nullptr
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2021-09-15 14:57:10 -04:00 |
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eb80102871
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spelling
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2021-09-15 13:51:31 -04:00 |
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c1fa663dd8
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Try to improve the pair style hybrid docs
This specifically tries to avoid the ambiguous use of "mixing" and
clarify that similar is still different when pair styles are concerned.
See discussion here: https://matsci.org/t/confusion-about-mixing-and-pair-coeff-section/38317/3
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2021-09-15 13:48:47 -04:00 |
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1b91bfbfa1
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spelling
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2021-09-14 17:17:46 -04:00 |
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b1ebaa298c
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build "fat" cuda binaries only with known toolkits
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2021-09-14 17:17:38 -04:00 |
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b1092cfa4e
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detect C++20 standard
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2021-09-14 11:56:43 -04:00 |
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c8170c3388
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fix mingw 32-bit vs 64-bit craziness
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2021-09-13 10:14:34 -04:00 |
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37894d48c6
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Revert "simplify building shared libs on windows"
This reverts commit fa3429ab02.
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2021-09-13 07:24:00 -04:00 |
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ede3762e84
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detect a few more compilers
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2021-09-13 00:29:04 -04:00 |
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fa3429ab02
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simplify building shared libs on windows
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2021-09-12 22:09:18 -04:00 |
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585f35235e
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add note to README files about age of the example
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2021-09-11 13:31:55 -04:00 |
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8cef98fae7
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update example to use current library interface. No need to use the namespace.
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2021-09-11 13:31:55 -04:00 |
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bd225e2484
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update example for dynamically loading LAMMPS with current library API
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2021-09-11 13:31:55 -04:00 |
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1c21560c70
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must not clear force array. will segfault in hybrid atom styles
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2021-09-10 20:33:49 -04:00 |
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0dd35bdb66
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Merge pull request #2935 from akohlmey/python-module-fixes-and-tests
Python module fixes and tests
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2021-09-09 23:31:16 -04:00 |
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b535e58e16
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Merge pull request #2929 from stanmoore1/kk_gridcomm
Recover Kokkos compilation
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2021-09-09 23:30:41 -04:00 |
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551810d388
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Merge pull request #2928 from wouterel/enable-dyngroups-fixbondcreate
Enable dynamic groups for fix bond/create
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2021-09-09 23:27:55 -04:00 |
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3fd4bd1fcd
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Merge branch 'python-module-fixes-and-tests' of github.com:akohlmey/lammps into python-module-fixes-and-tests
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2021-09-09 23:05:48 -04:00 |
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6ef8c12457
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whitespace
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2021-09-09 23:05:30 -04:00 |
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e2b44e89a7
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Merge pull request #2927 from akohlmey/docs-update
Update documentation for the stable release
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2021-09-09 23:03:12 -04:00 |
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d09851e695
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Improve MPI support in PyLammps
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2021-09-09 21:47:08 -04:00 |
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7b1e951916
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add unit test for checking properties parsed from info command output
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2021-09-09 21:13:09 -04:00 |
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4eeb90d135
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fix PyLammps parser issue with parsing info command output
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2021-09-09 21:12:28 -04:00 |
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390f9eff39
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Merge branch 'master' into kk_gridcomm
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2021-09-09 19:17:55 -04:00 |
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150a695b8c
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Merge pull request #2925 from akohlmey/collected-small-changes
Collected small changes
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2021-09-09 19:03:20 -04:00 |
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a954ddac5a
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add missing "private"
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2021-09-09 18:03:17 -04:00 |
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4e92c68244
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allow skipping fix timestep tests when LAMMPS was compiled for static libs
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2021-09-08 23:41:31 -04:00 |
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8c3924352d
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only check for meminfo[2] on platforms we know to be supported
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2021-09-08 23:02:56 -04:00 |
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6bad470dd5
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avoid namespace clash in mini-regex library
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2021-09-08 20:39:41 -04:00 |
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bc7dfbed3c
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add missing #if
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2021-09-08 20:00:39 -04:00 |
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9cdb83a24d
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support utils::guesspath() also on Windows
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2021-09-08 18:17:14 -04:00 |
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40f861097c
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Recover Kokkos compilation
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2021-09-08 14:41:51 -06:00 |
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b87a48e40b
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re-apply clang-format
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2021-09-08 15:42:15 -04:00 |
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04748779fd
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tweak epsilon for portability to FreeBSD
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2021-09-08 15:41:43 -04:00 |
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cfa94dfbaf
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add support for utils::guesspath() on macos
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2021-09-08 15:14:06 -04:00 |
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22f295ffd8
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Prevent buffer overflow in TextFileReader::next_dvector()
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2021-09-08 10:52:42 -04:00 |
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ebcf0bd6a1
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Enable dyanmic groups for fix bond/create
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2021-09-08 11:54:50 +02:00 |
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c1dbc110d9
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cosmetic changes for consistency
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2021-09-07 19:12:59 -04:00 |
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36eb2e30df
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correct URL
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2021-09-07 19:12:27 -04:00 |
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a4735628f9
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document flags that were missing in the man page and the help message
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2021-09-07 19:11:51 -04:00 |
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ad39aa85ab
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update style guide and requirements/suggestions for contributions
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2021-09-07 19:09:35 -04:00 |
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194a42b7a5
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use more reasonable install prefix when compiling natively on Windows
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2021-09-07 15:05:17 -04:00 |
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