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9c103ff6e2
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fix some accumulated formatting and spelling issues in the manual
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2023-12-06 02:59:47 -05:00 |
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b94642ccf8
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Merge branch 'develop' into collected-small-changes
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2023-12-06 02:51:51 -05:00 |
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30051ec260
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Merge pull request #3858 from jtclemm/new-computes
Adding tools to identify rattlers and measure nonaffine displacement
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2023-12-06 02:51:21 -05:00 |
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c092de9bc3
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Merge pull request #3985 from yury-lysogorskiy/feature/zbl
ACE/ZBL core repulsion (+Kokkos implementation)
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2023-12-06 01:22:06 -05:00 |
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131f3cee20
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fix typo
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2023-12-05 22:09:06 -05:00 |
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2cbb6a634e
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merge with upstream version
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2023-12-05 16:00:32 -07:00 |
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ae4b65430a
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clarify rules for reading multiple data files with read_data
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2023-12-05 15:58:40 -07:00 |
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21027d660d
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Clarify exception handling some more.
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2023-12-05 16:35:07 -05:00 |
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e53b3c76f5
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Updated doc pages for the added pair styles, added a cmake preset for gpu-cuda, added "comm_modify vel yes" to in.mdpd
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2023-12-05 15:32:57 -06:00 |
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7d8de8301f
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Merge branch 'develop' into compute-pace-update
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2023-12-05 06:05:34 -05:00 |
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a5894d8ab3
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clarify
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2023-12-05 03:18:56 -05:00 |
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250307f7c6
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add description for undocumented Body entries in molecule command
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2023-12-04 21:29:37 -07:00 |
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1f7d262bd7
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add mol keyword to fix rigid doc
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2023-12-04 16:01:39 -07:00 |
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21701a5eac
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correct dpi to get proper image scaling in PDF output
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2023-12-02 16:34:32 -05:00 |
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28c547a3cf
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Merge branch 'develop' into general-triclinic
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2023-12-02 12:40:23 -05:00 |
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4035291a48
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Merge branch 'develop' into collected-small-changes
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2023-12-02 08:17:11 -05:00 |
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f0d8a70757
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Merge pull request #4002 from akohlmey/moltemplate-howto
Add moltemplate tutorial to HowTo section
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2023-12-02 07:58:09 -05:00 |
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1b282ad3fd
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Merge pull request #4001 from akohlmey/remove-reaxc
Remove "reax/c" alias for sources and examples and require to use "reaxff"
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2023-12-02 02:32:12 -05:00 |
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acdb0481f0
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loads of spelling fixes
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2023-12-01 15:54:54 -05:00 |
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ef400cc13f
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fix broken links
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2023-12-01 15:31:33 -05:00 |
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e41d9cb746
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added explanations about the stock backend to the cmake
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2023-12-01 15:21:23 -05:00 |
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3c331321b3
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update the naming convention
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2023-12-01 15:12:23 -05:00 |
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bc7d0f5d50
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renamed cmake option
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2023-12-01 15:12:23 -05:00 |
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d0ae489dda
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addressed some pr comments
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2023-12-01 15:12:23 -05:00 |
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f75648030f
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document traditional make
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2023-12-01 15:12:23 -05:00 |
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77ad067458
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added documentation
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2023-12-01 15:12:23 -05:00 |
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45372937db
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loads of whitespace fixes
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2023-12-01 14:52:47 -05:00 |
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767b50e718
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Merge branch 'develop' into general-triclinic
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2023-12-01 14:13:05 -05:00 |
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1f86706710
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make more cases specifying cutoff Rc/r_c consistent
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2023-12-01 05:49:20 -05:00 |
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0d3f111627
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use r_c consistently
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2023-12-01 05:43:42 -05:00 |
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42ac8a9e9b
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use r_c consistently
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2023-12-01 05:36:25 -05:00 |
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e3574e84ec
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correct spelling of r_c
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2023-12-01 04:31:06 -05:00 |
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14d08f0284
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recreate compute xrd mesh image with reasonable dpi setting and used PNG format
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2023-12-01 00:37:42 -05:00 |
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28e22862c8
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reformat
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2023-11-30 16:57:43 -05:00 |
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9aaa38d912
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mention tutorial files location
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2023-11-30 16:48:19 -05:00 |
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f6b644388c
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add moltemplate tutorial to HowTo section
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2023-11-30 16:41:19 -05:00 |
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6c992ee511
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rearrange and rewformulate content of the tip4p pair style docs to make it more obvious
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2023-11-30 14:53:24 -05:00 |
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a377f2a271
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document removal of "reax/c" aliases for ReaxFF pair styles and fixes
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2023-11-30 05:39:50 -05:00 |
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368ea39816
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fully integrate additions into distribution
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2023-11-29 02:12:23 -05:00 |
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fe418bbe77
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spelling
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2023-11-29 02:11:54 -05:00 |
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918cddfb90
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reformat to conform to LAMMPS writing style
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2023-11-29 02:11:44 -05:00 |
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d39cd265ae
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make citations consistent
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2023-11-29 02:11:18 -05:00 |
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a38fade483
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whitespace fixes
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2023-11-29 01:35:49 -05:00 |
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28a89100e8
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Merge branch 'develop' into snann_slcsa
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2023-11-29 01:34:17 -05:00 |
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f36f846e19
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Merge branch 'develop' into mlquip
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2023-11-28 09:23:53 -05:00 |
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8c34f7f7b8
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switched 2D array out for scalar, and updated documentation
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2023-11-28 11:37:59 +00:00 |
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87c9891c07
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Merge remote-tracking branch 'public-lammps/develop' into feature/zbl
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2023-11-28 09:13:37 +01:00 |
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4fd63612f8
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correct misformatted tables
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2023-11-27 23:21:13 -05:00 |
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7249aea5e5
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error out when no per-type masses are set. warn if both per-type and per-atom masses are used.
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2023-11-27 07:47:08 -05:00 |
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1d25862146
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update documentation for the fact that exceptions in LAMMPS are always used
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2023-11-26 13:11:18 -05:00 |
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