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8fe78e5fc4
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enable and apply clang-format
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2022-03-05 20:21:32 -05:00 |
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de4b9a1d20
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use new neighbor list request API
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2022-03-05 20:20:55 -05:00 |
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21fc072396
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enable and apply clang-format
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2022-03-05 20:19:24 -05:00 |
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5dbad2354a
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use new neighbor list request API
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2022-03-05 20:18:40 -05:00 |
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c5c3c335c9
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enable clang-format
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2022-03-05 20:16:10 -05:00 |
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875560b827
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use new neighbor list request API
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2022-03-05 20:15:48 -05:00 |
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67a7764086
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Initalizing nullptrs, fixing labels, small errors in doc, and sign errors in rot sliding damp
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2022-03-05 17:07:02 -07:00 |
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095c9ab9d1
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whitespace
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2022-03-05 17:08:49 -05:00 |
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83f08ff8ef
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small update and correct broken link
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2022-03-05 17:07:00 -05:00 |
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8945050423
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cosmetic
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2022-03-05 16:47:31 -05:00 |
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be4f5288d3
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modernize potential file reader in pair style mesocnt
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2022-03-05 16:47:06 -05:00 |
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f329711384
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Merge branch 'develop' into mesocnt_memory
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2022-03-05 15:06:23 -05:00 |
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a9eae51d27
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print name of non-existent compute/fix/variable in error message
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2022-03-05 14:31:24 -05:00 |
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ece25a95ad
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stability improvements: recompute bin width for perfect match, don't test for floating point identity
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2022-03-05 13:46:56 -05:00 |
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15fa6049f2
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update comments
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2022-03-05 12:33:54 -05:00 |
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43ac557a9b
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remove unused headers and dead code. reformat a few small items
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2022-03-05 12:31:36 -05:00 |
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c24e46c547
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don't apply modulus to doubles but integers
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2022-03-05 12:30:40 -05:00 |
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9a98817567
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reformat doc page and address spelling issues
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2022-03-05 11:35:37 -05:00 |
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99d29ea86a
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Added kinetic contribution to pressure/cylinder and clang-format on all
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2022-03-05 16:30:47 +01:00 |
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089e46a540
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Fixed some gramma
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2022-03-05 16:29:42 +01:00 |
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4e125ccfc6
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Combined pressure profile documentation into one page
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2022-03-05 16:22:11 +01:00 |
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f9c02b9735
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clarify. improve typesetting
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2022-03-05 10:18:00 -05:00 |
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87c96aeeb1
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add tests for more compute styles
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2022-03-05 10:07:54 -05:00 |
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b3bef9cd34
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Merged
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2022-03-05 10:30:38 +01:00 |
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9ea0c581ac
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Adding kinetic contribution to prssure/cylinder
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2022-03-05 10:25:28 +01:00 |
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1ab85f5941
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update citation references
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2022-03-04 18:16:02 -05:00 |
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8709e26923
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Merge pull request #3166 from stanmoore1/reax_tabulate
Make it easier to enable tabulation in ReaxFF
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2022-03-04 17:37:26 -05:00 |
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c9563d0814
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Fixed style changes
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2022-03-04 22:30:25 +01:00 |
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f8089bd007
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fix cut-n-paste error
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2022-03-04 16:08:14 -05:00 |
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789571c4b4
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Merge pull request #3158 from arghdos/split_buildlists_half_rebased
Split buildlists half kernel into "preview" and "finalize" kernels
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2022-03-04 16:06:05 -05:00 |
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5c8f506edf
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add unit test input
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2022-03-04 16:04:04 -05:00 |
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577eac201b
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add sanity check
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2022-03-04 16:03:50 -05:00 |
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60b7da84db
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add comment of something to check
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2022-03-04 13:56:55 -07:00 |
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85d4312703
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add pitorsions to tinker2lmp.py
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2022-03-04 13:52:04 -07:00 |
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401180699d
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Update docs
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2022-03-04 13:10:25 -07:00 |
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1e530dbd19
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Changed ref name to avoid duplicate
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2022-03-04 20:55:29 +01:00 |
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23580d8ca5
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Integrated pressure/cartesian and pressure/spherical
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2022-03-04 20:54:33 +01:00 |
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cdeaa83f6d
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Make it easier to enable tabulation in ReaxFF
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2022-03-04 12:34:51 -07:00 |
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4deeb15043
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new pitorsion class
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2022-03-04 09:36:58 -07:00 |
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7d8c217657
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Anothr tweak of movemode logic
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2022-03-04 09:23:51 -07:00 |
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06e9c096ac
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Remove unused code
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2022-03-04 09:13:43 -07:00 |
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98d2dca83f
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Trailing whitespace
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2022-03-04 16:58:31 +01:00 |
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6d48ba1577
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Trailing whitespace
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2022-03-04 16:57:59 +01:00 |
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a7112f173a
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Trailing whitespace
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2022-03-04 16:56:39 +01:00 |
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9f0607876a
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LAMMPS Homepage
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2022-03-04 16:49:42 +01:00 |
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47de1234c0
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LAMMPS homepage and ø->{\o} in reference
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2022-03-04 16:49:03 +01:00 |
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2687228f09
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Fixed LAMMPS homepage and changed ø to {\o} it reference
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2022-03-04 16:47:16 +01:00 |
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a396ed2b36
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Fixed LAMMPS homepage
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2022-03-04 16:45:31 +01:00 |
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939171094b
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Whitespace
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2022-03-04 08:40:22 -07:00 |
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df9a772020
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More EVFLAG cleanup
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2022-03-04 08:36:27 -07:00 |
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