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23f37e6f63
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minor fixes
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2024-07-18 03:53:44 -04:00 |
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992987eb6a
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fix formatting to make diff easier
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2024-07-18 00:27:35 -04:00 |
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99ec87dddc
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Update pair_lj_spica_coul_long.cpp
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2024-07-17 01:16:37 -04:00 |
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ccfdb4aee4
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https://matsci.org/t/a-few-kokkos-development-questions/56598
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2024-07-16 19:45:47 -04:00 |
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aaf25602e3
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add Q_MASK to datamask_read
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2024-07-07 17:11:18 -04:00 |
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b1a4f08dd2
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Update in.charmmfsw
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2024-07-07 16:56:00 -04:00 |
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c77d2d952d
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Update pair_lj_charmmfsw_coul_long_kokkos.cpp
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2024-07-07 16:55:39 -04:00 |
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06e8f8eab2
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cleanup
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2024-07-07 15:57:37 -04:00 |
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9c37e0f0df
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add charmmfsw example for kokkos gpu testing
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2024-07-07 15:32:12 -04:00 |
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2cb3cb3323
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merging charmmfsw properly into spica (1st try)
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2024-07-07 11:04:11 -04:00 |
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bac8885739
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minor changes
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2024-07-07 06:19:42 -04:00 |
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2459b7e975
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oops
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2024-07-07 05:58:27 -04:00 |
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68231e9ba4
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minor formatting changes
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2024-07-07 05:49:03 -04:00 |
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62ac8d0ab3
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fixes
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2024-07-07 02:59:43 -04:00 |
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c3f76dcc81
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cleanup
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2024-07-06 01:12:23 -04:00 |
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fecf38e116
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move d_type = atomKK->k_type.view<DeviceType>() to compute()
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2024-07-06 00:20:45 -04:00 |
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2fc664d5da
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added kokkos views
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2024-07-05 16:21:43 -04:00 |
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bf4aab68d3
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update sdk -> spica
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2024-06-24 17:45:53 -04:00 |
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5442446460
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remove commented out code
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2024-06-24 17:44:07 -04:00 |
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43bace6748
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Fix typo
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2024-06-24 15:16:37 -06:00 |
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21a42c1304
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Small cleanup
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2024-06-24 14:08:47 -06:00 |
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5207b93fd8
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small update for consistency
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2024-06-22 20:33:44 -04:00 |
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7e7f3c08f4
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make check more specific but accelerator compatible
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2024-06-22 20:29:26 -04:00 |
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e6042c7db2
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Merge branch 'develop' into spica-kk
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2024-06-22 20:27:00 -04:00 |
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1349d7632e
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flag KOKKOS support for added styles in commands lists
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2024-06-22 20:26:45 -04:00 |
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cfcd2b2068
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Merge pull request #4202 from lammps/dump-triclinic-bug-fix
Dump triclinic bug fix
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2024-06-21 14:29:31 -04:00 |
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cf2dede47f
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whitespace
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2024-06-21 12:20:59 -04:00 |
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13f0e37a57
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Merge pull request #4201 from lammps/amoeba-doc-page
Fix errors in fix amoeba/pitorsion doc page
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2024-06-21 12:17:26 -04:00 |
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eba1599f9c
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typo comment change
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2024-06-21 09:35:10 -06:00 |
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de684a15b6
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typo code change
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2024-06-21 09:33:12 -06:00 |
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fc539b46ea
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change all function ptrs and 2 example dump files
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2024-06-21 09:23:04 -06:00 |
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7dae9c05ba
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changes for triclinic function ptr init
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2024-06-21 08:59:09 -06:00 |
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d0da16070b
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one more change
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2024-06-21 08:00:50 -06:00 |
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6b42545044
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fix errors in fix amoeba/pitorsion doc page
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2024-06-21 07:51:49 -06:00 |
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241a8dda63
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Merge pull request #4200 from akohlmey/collected-small-changes
Collected small fixes for development version
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2024-06-21 09:42:57 -04:00 |
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fe13768fa4
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remove unused class member
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2024-06-21 01:16:50 -04:00 |
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c7f386ce9f
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fix missing arguments and cut-n-paste error reported by coverity scan
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2024-06-21 01:13:36 -04:00 |
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a6d51b7cc8
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follow LAMMPS programming style more closely
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2024-06-21 01:04:55 -04:00 |
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41d24f5d57
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apply clang-format
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2024-06-21 01:02:02 -04:00 |
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6d1fb9eb62
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fix typo
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2024-06-20 20:31:24 -04:00 |
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fc98f626b4
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Merge branch 'develop' into collected-small-changes
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2024-06-20 20:13:22 -04:00 |
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7e8f956e05
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remove accidental commit
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2024-06-20 20:09:28 -04:00 |
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8ce284f125
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Merge pull request #4145 from jrgissing/improve_type_label_support
Improve type label support
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2024-06-20 16:30:22 -04:00 |
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dfabe5d333
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-06-20 16:25:43 -04:00 |
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65f2767d9d
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Merge pull request #4169 from ohenrich/cg-dna
CG-DNA: Real units and potential reader
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2024-06-20 16:25:16 -04:00 |
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734fdf4a46
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rename CG-DNA potential files
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2024-06-20 14:33:26 -04:00 |
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00d7aa935f
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follow LAMMPS programming style more closely, silence compiler warnings
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2024-06-20 09:39:21 -04:00 |
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001ac67b3b
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apply clang-format
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2024-06-20 09:23:32 -04:00 |
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c8dc135b8f
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update according to "include-what-you-use" principles
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2024-06-20 09:22:32 -04:00 |
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2dc7de417a
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Merge branch 'develop' into improve_type_label_support
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2024-06-20 08:56:02 -04:00 |
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