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af2f9c06dc
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add #include "kokkos_few.h"
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2024-09-30 15:51:37 -04:00 |
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a199289e23
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cuda bugfix
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2024-09-30 15:47:06 -04:00 |
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4cfc407605
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Merge branch 'develop' of github.com:lammps/lammps into kokkos-unit-testing
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2024-09-30 10:51:59 -06:00 |
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94f5f3cfa5
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Fix compile issue with HIP
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2024-09-26 15:25:32 -07:00 |
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ec2fece8db
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Merge pull request #4322 from stanmoore1/kk_update_4.4.0
Update Kokkos library in LAMMPS to v4.4.1
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2024-09-26 16:29:31 -04:00 |
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e29e943ae6
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apply clang-format
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2024-09-25 18:48:47 -04:00 |
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e44e462da6
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remove redundant enum definition
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2024-09-25 17:58:51 -04:00 |
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725f6db5c1
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skip no longer needed
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2024-09-25 17:58:34 -04:00 |
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e17e6e7a9d
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restore dihedral test
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2024-09-25 17:58:22 -04:00 |
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fee06d0d12
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Merge branch 'develop' into kokkos-unit-testing
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2024-09-25 17:52:59 -04:00 |
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149e92d1b9
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Merge branch 'develop' into kokkos-unit-testing
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2024-09-25 17:25:38 -04:00 |
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80832ce763
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.4.0
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2024-09-23 16:14:12 -06:00 |
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7e31a4f482
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Simplify view deallocation code
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2024-09-23 16:14:06 -06:00 |
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e95de835c0
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Tweak build defaults
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2024-09-23 15:38:29 -06:00 |
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2e05cfeea9
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Small code cleanup
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2024-09-23 15:12:30 -06:00 |
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2429c89eae
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Fix deadlock by always deallocating views of views in serial
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2024-09-23 14:59:51 -06:00 |
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b95f7c2ab2
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Merge pull request #4333 from evoyiatzis/patch-4
add extract() function to several angle styles
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2024-09-23 14:27:47 -04:00 |
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6f6e365682
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unit test for extract() in angle-cosine_periodic.yaml
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2024-09-22 20:24:26 +02:00 |
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11aa128951
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unit test for extract() in angle-fourier_simple.yaml
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2024-09-22 20:23:32 +02:00 |
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950bcba592
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unit test for extract() in angle-fourier.yaml
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2024-09-22 20:22:43 +02:00 |
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8355d3796a
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unit test for extract() in angle-cosine_squared_restricted.yaml
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2024-09-22 20:09:37 +02:00 |
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662ea3a191
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unit test for extract() in angle-quartic.yaml
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2024-09-22 20:08:52 +02:00 |
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517b4f4342
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unit test for extract() in angle-dipole.yaml
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2024-09-22 20:06:17 +02:00 |
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d6d63b87d1
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unit test for extract() in angle-class2.yaml
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2024-09-22 20:05:32 +02:00 |
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1287977bee
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unit test for extract() in angle-spica.yaml
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2024-09-22 20:04:32 +02:00 |
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cd4bada16f
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unit test for extract() in angle-charmm.yaml
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2024-09-22 20:03:33 +02:00 |
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25c9f5a6ff
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unit test for extract() in angle-mm3.yaml
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2024-09-22 20:01:52 +02:00 |
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96d99e3dd6
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unit test for extract() in bond-fene_expand.yaml
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2024-09-22 15:33:46 +02:00 |
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0d6abcb86a
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unit test for extract() in bond-mm3.yaml
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2024-09-22 15:31:01 +02:00 |
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8294bea7a7
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Update angle section of fix_adapt.rst
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2024-09-21 10:02:06 +02:00 |
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3c8b846a66
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Merge pull request #4330 from akohlmey/rheo-gsl-to-lapack
Convert RHEO package to use plain LAPACK instead of GSL
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2024-09-21 00:00:13 -04:00 |
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20f3b5a7db
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update readme
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2024-09-20 21:44:52 -04:00 |
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68548cbb0d
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Update angle_spica.cpp
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2024-09-20 20:53:22 +02:00 |
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d8c0691684
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Update bond section of fix_adapt.rst
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2024-09-20 19:55:07 +02:00 |
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b2a2cefc02
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add extract() function to bond_fene_expand.cpp
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2024-09-20 19:38:58 +02:00 |
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423b058820
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add extract() function to bond_fene_expand.h
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2024-09-20 19:38:22 +02:00 |
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7f0ff96324
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add extract() function to angle_class2.cpp
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2024-09-20 19:37:12 +02:00 |
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b49f3412df
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add extract() function to angle_class2.h
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2024-09-20 19:36:35 +02:00 |
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c5e62b4a47
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add extract() function to angle_dipole.cpp
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2024-09-20 19:35:46 +02:00 |
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873030982d
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add extract() function to angle_dipole.h
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2024-09-20 19:35:11 +02:00 |
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3ce4c782d1
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add extract() function to angle_spica.cpp
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2024-09-20 19:34:16 +02:00 |
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8e07149593
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add extract() function to angle_spica.h
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2024-09-20 19:33:41 +02:00 |
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8a2564fff1
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add extract() function to bond_mm3.cpp
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2024-09-20 19:32:41 +02:00 |
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4272d4a390
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add extract() function to bond_mm3.h
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2024-09-20 19:32:05 +02:00 |
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83b2e88b73
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add extract() function to angle_mm3.cpp
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2024-09-20 19:31:20 +02:00 |
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c65a6e8b59
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add extract() function to angle_mm3.h
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2024-09-20 19:30:42 +02:00 |
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cc9f45af88
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add extract() function to angle_cosine_squared_restricted.cpp
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2024-09-20 19:29:34 +02:00 |
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25f12bf800
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add extract() function to angle_cosine_squared_restricted.h
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2024-09-20 19:28:56 +02:00 |
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f916a0cc63
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add extract() function to angle_cosine_periodic.cpp
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2024-09-20 19:27:58 +02:00 |
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42f0940aee
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add extract() function to angle_cosine_periodic.h
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2024-09-20 19:27:18 +02:00 |
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