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cc0fc01d1c
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Implemented extract_compute and started writing unit test for it
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2022-09-23 16:23:51 -05:00 |
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ac0080f2df
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Reintroduced some stashed doc edits
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2022-09-23 07:20:49 -05:00 |
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5f5397f61b
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Added unit tests for x and v
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2022-09-22 22:23:31 -05:00 |
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ae4404201f
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Forgot to add the unit test files to the commit....
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2022-09-22 19:55:10 -05:00 |
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aff5200ded
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Implemented extract_atom, updated docs, added some unit tests
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2022-09-22 19:16:15 -05:00 |
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2d81980de1
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Merge branch 'lammps:develop' into fortran-tinkering
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2022-09-15 21:33:51 -05:00 |
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e745c8aac4
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Merge pull request #3446 from akohlmey/next-patch-release
Update versions strings for the next patch release
patch_15Sep2022
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2022-09-15 12:33:37 -04:00 |
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3bf7712edf
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Merge pull request #3444 from lammps/sticker-bond-test
Fix bond/swap upgrade with more randomization of bond selection
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2022-09-15 11:11:23 -04:00 |
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3770c02752
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fix typo
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2022-09-15 09:22:20 -04:00 |
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5f2445f215
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Merge branch 'develop' into sticker-bond-test
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2022-09-15 09:20:58 -04:00 |
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c31542fecb
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Merge pull request #3369 from lammps/fix-pair-dump-skip
Fix pair plus dump skip
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2022-09-15 09:06:37 -04:00 |
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aae96b9cb0
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fix multiple typesetting issues and make consistent
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2022-09-14 23:26:01 -04:00 |
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e4575aec3c
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One fix after running fix-whitespace
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2022-09-14 21:14:13 -05:00 |
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72573987fa
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I wrote unit tests for all the Fortran interface commands in this pull request
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2022-09-14 21:07:32 -05:00 |
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2997fff361
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update version strings
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2022-09-14 16:48:33 -04:00 |
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69034167b8
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update versions strings for the next patch release
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2022-09-14 16:29:10 -04:00 |
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a52c4a5537
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improve error messages
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2022-09-14 14:35:57 -04:00 |
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e415eddee5
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spelling and improved consistency with other doc pages
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2022-09-14 14:34:45 -04:00 |
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15bc70ae4d
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Merge branch 'develop' into fix-pair-dump-skip
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2022-09-14 14:01:42 -04:00 |
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83224f631d
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Merge pull request #3445 from akohlmey/doc-fixes
Reorder punctuation and quotation characters in manual for clarity
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2022-09-14 13:58:28 -04:00 |
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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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