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7551219d81
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correct multitype unittest for -DLAMMPS_SMALLSMALL
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2023-06-07 20:16:26 -04:00 |
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af25bd87fb
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Merge branch 'develop' into collected-small-fixes
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2023-06-07 15:23:54 -04:00 |
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f406aa1492
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Merge pull request #3792 from evoyiatzis/master
Inclusion of bond & angle contributions to "compute stress/mop"
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2023-06-07 06:09:58 -04:00 |
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14acb3e0ca
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add multitype data type and unittest (including tests for ubuf)
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2023-06-06 21:29:50 -04:00 |
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d85342cd6d
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Update test_compute_global.cpp
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2023-06-03 16:04:40 +03:00 |
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4540427e2b
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add unit tests for is_typelabel() variable function
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2023-05-31 08:50:21 -04:00 |
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458cce7699
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Updating unit test for mop to reflect the contribution from bonds
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2023-05-27 14:33:46 +03:00 |
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cf51c94be0
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update unit test for presence of Pair::extract() function in pair style kim
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2023-05-15 02:02:36 -04:00 |
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0facd4cf66
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support vector variable definitions with embedded blanks
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2023-05-05 01:06:55 -04:00 |
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366b64571d
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add a few unit tests for static vector style variables
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2023-05-04 20:44:46 -04:00 |
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67b6a1de70
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fixup broken unit tests
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2023-05-04 20:09:57 -04:00 |
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3f8cd4577c
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update unit test
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2023-05-02 16:20:29 -04:00 |
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d2bb1b420d
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simplify and cleanup
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2023-05-02 11:49:13 -04:00 |
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12135bac77
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add unit tests for compute count/type
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2023-05-02 10:22:37 -04:00 |
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08bf9e2513
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apply clang-format
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2023-04-16 12:35:41 -04:00 |
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a7460445bb
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simplify and modernize. apply clang-format.
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2023-04-16 12:14:59 -04:00 |
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f7d6592aa6
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avoid crash in Pair::single() test on certain inpus
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2023-04-08 04:00:10 -04:00 |
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70f1d17495
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implement lj/expand/sphere
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2023-04-07 18:33:06 -04:00 |
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6b2896db75
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update
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2023-04-07 18:19:18 -04:00 |
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e82fd31bd4
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rename lj/sphere to lj/cut/sphere and add (yet non-functional) lj/expand/sphere
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2023-04-06 08:18:56 -04:00 |
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dfd16c95ff
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Merge branch 'develop' into pair-lj-lepton-sphere
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2023-04-03 17:46:34 -04:00 |
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f16c8b4cc4
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recognize "Maintenance" tag in addition to "Development"
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2023-03-31 09:36:00 -04:00 |
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2ac369a3e1
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accommodate for Development marker in RunCouple* unit tests
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2023-03-31 09:23:23 -04:00 |
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9021129799
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accommodate for "Development" marker in simple RunLammps unit tests
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2023-03-31 08:10:27 -04:00 |
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3d652af44d
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add unit tests for lj/sphere and lepton/sphere
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2023-03-30 14:44:14 -04:00 |
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68d79274cd
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Merge branch 'develop' into pair_style_tutorial
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2023-03-28 18:18:23 -04:00 |
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7d5d2b909f
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Merge pull request #3698 from yafshar/set-command-type-label
use of type labels in set commands
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2023-03-28 16:07:14 -04:00 |
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7738b67737
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Adding mass to python numpy unittest of KE
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2023-03-28 09:17:11 -04:00 |
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d3a766af2d
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Merge branch 'develop' into pair_style_tutorial
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2023-03-27 22:46:57 -04:00 |
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5390b2b0aa
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fix typo in test
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2023-03-25 22:01:17 -04:00 |
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72783d6cfd
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Merge branch 'develop' into pair_style_tutorial
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2023-03-24 19:28:04 -04:00 |
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23524c6655
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use of type labels in set commands
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2023-03-24 06:55:52 -07:00 |
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1666f5f903
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Merge branch 'develop' into refactor-compute-chunk
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2023-03-23 18:34:00 -04:00 |
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0007b7c9fe
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Merge branch 'develop' into pair_style_tutorial
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2023-03-23 01:23:36 -04:00 |
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e317b0eb7e
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update kim unit tests for recent changes, make variable for extended test an option
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2023-03-20 07:11:47 -04:00 |
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29e724b810
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add unit test for compute dipole/tip4p/chunk
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2023-03-18 11:14:32 -04:00 |
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aca8bc4ea9
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Merge branch 'develop' into pair_style_tutorial
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2023-03-17 05:42:08 -04:00 |
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5e6004961d
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Merge branch 'develop' into collected-small-changes
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2023-03-16 18:00:36 -04:00 |
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224b1369a1
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Merge pull request #3685 from akohlmey/more-tip4p-support
Add TIP4P versions for compute dipole, compute dipole/chunk and fix efield
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2023-03-16 17:59:58 -04:00 |
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180ed2553c
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Merge branch 'develop' into collected-small-changes
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2023-03-16 12:54:48 -04:00 |
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fa9062a87e
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make Force::special_lj and Force::special_coul accessible through the library interface
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2023-03-15 18:39:32 -04:00 |
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32c695a7d4
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tag all TIP4P related pair style tests as unstable
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2023-03-15 12:17:57 -04:00 |
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a8c1359c54
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make energy handling consistent for variable field
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2023-03-11 18:56:29 -05:00 |
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251fac2c60
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add unit tests for fix efield/tip4p
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2023-03-11 18:43:46 -05:00 |
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416df96c1b
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add extract support for TIP4P parameters to cutoff versions
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2023-03-11 18:12:09 -05:00 |
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4220944ace
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cosmetic
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2023-03-08 00:25:08 -05:00 |
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fc8a048662
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add unit test
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2023-03-07 21:22:57 -05:00 |
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2f0aff7b78
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Merge remote-tracking branch 'github/develop' into pair_style_tutorial
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2023-03-02 10:34:31 -05:00 |
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11172c1949
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make biga0 and r0 accessible via Pair::extract() and add pair style to table in fix adapt
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2023-02-28 21:50:44 -05:00 |
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c8f3f4b173
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add born/gauss pair style (for modeling liquid mercury)
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2023-02-27 01:58:36 -05:00 |
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