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6267389801
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must force OMP_NUM_THREADS=1 for all tests to pass
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2025-04-06 11:30:41 -04:00 |
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da2bc03ae6
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do explicit loop over nlocal to avoid out-of-bounds access with implicit loop
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2025-04-06 06:21:39 -04:00 |
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e0847f2195
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fix memory leak in test
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2025-04-05 00:26:20 -04:00 |
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8df9f3404b
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Merge pull request #4467 from evoyiatzis/patch-2
extend fix adapt to treat improper angles
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2025-04-02 12:18:40 -04:00 |
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5933eca83f
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Merge pull request #4515 from akohlmey/collected-small-fixes
Collected small fixes and updates
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2025-04-01 21:16:16 -04:00 |
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b0ca9ed0d4
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enable lj/cubic for fix adapt
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2025-04-01 16:19:37 +02:00 |
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db8dae3300
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enable lj/gromacs for fix adapt
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2025-04-01 15:36:44 +02:00 |
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c99ae613de
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enable lj96 for fix adapt
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2025-04-01 11:34:11 +02:00 |
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2ea5cf1206
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2025-03-25 14:16:04 -04:00 |
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9e241df062
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Merge pull request #4182 from akohlmey/group-bitmap-accessor
Refactor code to use group bitmap accessor
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2025-03-25 14:12:27 -04:00 |
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824b1b0b66
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relax epsilon to pass tests on macos-arm64
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2025-03-23 16:36:16 -04:00 |
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7d6c19f51b
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adjust for macos_arm64 arch
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2025-03-17 18:12:33 -04:00 |
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2c3824bdd0
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update remaining places that used to support -DLAMMPS_SMALLSMALL
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2025-03-15 02:11:50 -04:00 |
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81ab0b7504
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Merge pull request #4456 from akohlmey/add-error-explanations
Add short explanations and URL to them for common errors and warnings
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2025-03-14 20:18:34 -04:00 |
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7374d38b44
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Update mol-pair-yukawa.yaml
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2025-03-14 09:27:32 +01:00 |
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0f10741f71
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update tests for variable commands
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2025-03-13 04:38:58 -04:00 |
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b3e75a6f84
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adjust BondStyle:class2 epsilon for aarch64 and ppc64le builds
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2025-02-24 12:09:51 -07:00 |
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b77c3bf8c7
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make compatible with more strict consteval format requirements of C++20
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2025-02-21 21:54:28 -05:00 |
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1e078665f6
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fix bug in angle style cosine/delta
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2025-02-21 16:18:56 -05:00 |
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c83ae0365e
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fix typo ncite in test_improper_style.cpp
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2025-02-14 09:09:10 +02:00 |
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2a35452c13
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fix typo and add new line
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2025-02-14 06:40:01 +00:00 |
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52312fcd1d
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test for extract() in improper class
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2025-02-14 06:22:29 +00:00 |
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ed9b22cb0e
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rename k and chi in improper-distance.yaml
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2025-02-11 16:03:42 +02:00 |
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fb6a1ad603
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rename kw to k in improper-inversion_harmonic.yaml
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2025-02-11 15:58:47 +02:00 |
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c66ca60f65
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rename kw to k in improper-umbrella.yaml
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2025-02-11 15:53:14 +02:00 |
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c9b4689167
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rename sign and multiplicity in improper-cvff.yaml
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2025-02-11 15:48:50 +02:00 |
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11b95655f8
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rename k0 to k in improper-class2.yaml
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2025-02-11 15:42:30 +02:00 |
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dc83bd3084
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rename chi to theta0 in improper-ring.yaml
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2025-02-10 20:18:13 +02:00 |
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2b46abc31c
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change chi to d0 in improper-distharm.yaml
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2025-02-10 19:15:58 +02:00 |
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8dfb967acc
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change chi to chi0 in improper-cossq.yaml
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2025-02-10 18:42:07 +02:00 |
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6abdedc75b
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change chi to chi0 in improper-harmonic.yaml
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2025-02-10 18:34:15 +02:00 |
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49b5e89258
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Update unit test in improper-fourier.yaml
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2025-02-08 19:06:08 +02:00 |
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d384de354a
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Update unit test in improper-class2.yaml
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2025-02-07 09:31:28 +02:00 |
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2440564bef
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Update unit test in improper-cossq.yaml
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2025-02-06 21:23:36 +02:00 |
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ced5fd3240
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Update unit test in improper-umbrella.yaml
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2025-02-06 21:22:05 +02:00 |
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c918c7b547
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Update unit test in improper-inversion_harmonic.yaml
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2025-02-06 21:20:41 +02:00 |
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f9b7013af3
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Update unit test in improper-sqdistharm.yaml
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2025-02-06 21:18:53 +02:00 |
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33f5057488
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Update unit test in improper-distance.yaml
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2025-02-06 21:17:27 +02:00 |
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22898fc8fc
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Update unit test in improper-distharm.yaml
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2025-02-06 21:16:33 +02:00 |
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72d2b70125
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Update unit test in improper-ring.yaml
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2025-02-06 21:15:28 +02:00 |
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61f4012300
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Update unit test in improper-harmonic.yaml
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2025-02-06 21:14:46 +02:00 |
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24f40c7db4
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Update unit test in improper-cvff.yaml
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2025-02-06 21:13:38 +02:00 |
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3fb8857be5
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relax epsilon for tests on ARM64
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2025-02-03 22:19:12 -05:00 |
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8f23701352
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must build plugins on Windows, too.
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2025-02-01 02:07:01 -05:00 |
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ebf81c0363
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add tests for dreiding h-bond potentials
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2025-02-01 02:01:48 -05:00 |
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8b8e10d54f
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update regex for Windows
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2025-01-31 23:30:33 -05:00 |
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541f81ba93
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use full path when loading plugins
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2025-01-31 23:19:56 -05:00 |
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3a58f9a5aa
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delegate handling of multi-config path to CMake (if version 3.20 or later)
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2025-01-31 22:50:13 -05:00 |
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6da7e4aa47
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update molecule file tester for changed error messages
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2025-01-31 21:06:11 -05:00 |
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b98797ec2c
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Merge remote-tracking branch 'github/develop' into small_fixes
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2025-01-30 16:19:38 -05:00 |
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