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9a44d708e9
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Merge branch 'lammps:develop' into fortran-tinkering
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2022-09-13 23:49:17 -05:00 |
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5da958ade2
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Merge remote-tracking branch 'github/develop' into doc-fixes
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2022-09-13 12:25:33 -04:00 |
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88a85f39fb
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Merge pull request #3436 from lammps/fix-gcmc-with-latte
Enable fix gcmc to work with fix latte when deleting atoms/molecules
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2022-09-13 12:24:50 -04:00 |
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fe4f7bd467
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spelling
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2022-09-13 11:43:09 -04:00 |
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7e8aa8b04a
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Merge branch 'fix-gcmc-with-latte' of github.com:lammps/lammps into fix-gcmc-with-latte
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2022-09-13 11:39:25 -04:00 |
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f3fa246179
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update LATTE package examples
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2022-09-13 11:39:16 -04:00 |
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56304fe939
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move check for Fortran Compiler validity
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2022-09-13 11:24:20 -04:00 |
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5a218609dd
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Merge branch 'fix-gcmc-with-latte' of github.com:lammps/lammps into fix-gcmc-with-latte
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2022-09-13 09:17:58 -06:00 |
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b34d45644e
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update fix latte doc page
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2022-09-13 09:17:50 -06:00 |
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197ce9187e
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small programming style updates
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2022-09-13 06:31:49 -04:00 |
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7dd95db474
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fix typo
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2022-09-13 06:22:41 -04:00 |
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526cc1566e
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cosmetic
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2022-09-13 06:13:37 -04:00 |
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446cc46bbd
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spelling
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2022-09-12 19:10:18 -04:00 |
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cc2b6a3565
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reorder punctuation and quotation characters for clarity
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2022-09-12 19:02:46 -04:00 |
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abfdb5bca3
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whitespace
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2022-09-12 18:33:27 -04:00 |
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893586c8eb
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Merge branch 'develop' into fix-pair-dump-skip
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2022-09-12 18:19:12 -04:00 |
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170e657bde
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Merge branch 'develop' into fix-gcmc-with-latte
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2022-09-12 18:15:51 -04:00 |
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f68b50b5c1
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Merge branch 'develop' into sticker-bond-test
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2022-09-12 18:15:24 -04:00 |
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23595aa851
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Merge pull request #3442 from akohlmey/collected-small-changes
Collected fixes and small changes for the next patch release
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2022-09-12 18:14:40 -04:00 |
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7a97b25c8d
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must link with -lgfortran when using flang
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2022-09-12 17:02:06 -04:00 |
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60e172c18c
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disable assertion to avoid bogus warning from some compilers
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2022-09-12 17:01:31 -04:00 |
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5e3adfa710
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trigger newsystem in LATTE if atom count changes - e.g. fix gcmc
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2022-09-12 14:40:10 -06:00 |
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3e51cfc4d1
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avoid ambiguous variable override with due to for scoping
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2022-09-12 16:27:54 -04:00 |
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44b8eee180
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updated README file from @sjplimp
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2022-09-12 16:19:34 -04:00 |
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1abfec066c
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update MDI library version to 1.4.11
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2022-09-12 12:30:34 -04:00 |
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58d6e0d440
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add note to doc page about sticker site model
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2022-09-12 09:41:29 -06:00 |
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572e8cc399
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random permulations of both I and J atoms in double loop
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2022-09-12 09:18:06 -06:00 |
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ed0af32fce
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properly initialize Atom class member and avoid side effects during write data
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2022-09-11 22:11:22 -04:00 |
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34714dba29
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improve error messages
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2022-09-11 22:10:50 -04:00 |
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c235cbee71
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sync with lammps-testing and update plumed version consistently.
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2022-09-11 01:07:22 -04:00 |
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e9f0f371b8
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update prompt variable
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2022-09-10 21:05:02 -04:00 |
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b86232ac5b
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add container definition for almalinux 9
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2022-09-10 21:00:14 -04:00 |
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7e921b5e24
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Merge branch 'define_nv_restrict' of github.com:Vsevak/lammps into collected-small-changes
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2022-09-10 19:53:20 -04:00 |
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e45fa36717
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improve error messages
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2022-09-10 19:47:28 -04:00 |
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67f6adebb7
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whitespace fixup with dynamic casts
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2022-09-10 13:26:38 -04:00 |
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9b172d66f8
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recover non-labelmap functionality with Kokkos. Error out when maps are used with Kokkos
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2022-09-10 12:50:45 -04:00 |
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f62746fc66
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Fix noalias definition so that it compiles with nvc++
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2022-09-10 13:28:25 +03:00 |
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44e983f641
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more dump tests
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2022-09-10 04:54:48 -04:00 |
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f36c900b6d
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fix memory buffer size issue when using dump_modify image for dump style atom
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2022-09-10 04:54:37 -04:00 |
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b3faffd32d
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clear custom keywords when default column names change with dump_modify scale or image
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2022-09-10 04:54:09 -04:00 |
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f050581363
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move keywords to be sorted alphabetically
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2022-09-10 04:53:38 -04:00 |
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035ca97ea1
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move colname section
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2022-09-10 04:53:00 -04:00 |
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73b44c3b18
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add some versionadded markers
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2022-09-10 04:35:39 -04:00 |
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4cca198adf
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fix issues from moving code and incorrect merge conflict resolution
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2022-09-10 04:35:13 -04:00 |
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f700da5ac3
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remove redundant section
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2022-09-10 04:24:40 -04:00 |
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c2e1ee206b
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improve format
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2022-09-10 04:17:58 -04:00 |
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9eb5d566d4
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fix typos with doc references
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2022-09-10 04:15:01 -04:00 |
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7e6bd892ed
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apply clang-format
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2022-09-10 03:29:32 -04:00 |
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ab899861d5
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apply clang-format
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2022-09-10 03:21:28 -04:00 |
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4998c065da
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clang-tidy fixes
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2022-09-10 03:18:06 -04:00 |
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