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a8157fc68e
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relax epsilon for kokkos_omp to pass
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2024-10-05 16:41:02 -04:00 |
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0bc554a694
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remove FIXME
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2024-10-05 16:40:32 -04:00 |
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1f61c42745
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add GroupKokkos
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2024-10-05 16:40:10 -04:00 |
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58bea0691b
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oops
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2024-10-05 13:55:33 -04:00 |
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da659c5168
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-05 12:02:24 -04:00 |
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2d261388c8
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Update fix_wall_region.cpp
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2024-10-05 12:02:00 -04:00 |
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de8396ea55
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Update fix_wall_region.h
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2024-10-05 12:01:34 -04:00 |
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84b50bfd26
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Update region_sphere_kokkos.cpp
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2024-10-05 11:59:50 -04:00 |
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81f96d3ea3
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Update fix_recenter_kokkos.h
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2024-10-05 11:48:18 -04:00 |
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03c3bfec3a
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Update fix_nve_limit_kokkos.cpp
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2024-10-05 11:45:41 -04:00 |
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95c18c5373
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Update fix_cmap_kokkos.cpp
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2024-10-05 11:44:57 -04:00 |
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7aade6e14c
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Merge branch 'develop' of github.com:lammps/lammps into alphataubio-kokkos-fixes
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2024-10-04 16:24:43 -06:00 |
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36dd4de3bc
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Merge pull request #4348 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-10-04 15:57:47 -04:00 |
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0a6d25881b
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update documentation according to accelerated style include check
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2024-10-04 13:54:04 -04:00 |
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25afdcc325
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add check for missing or unneeded accelerated style include
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2024-10-04 13:52:12 -04:00 |
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485cddf303
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Update fix_wall_region.rst
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2024-10-04 13:06:32 -04:00 |
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921d9df574
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Update fix_recenter.rst
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2024-10-04 13:05:48 -04:00 |
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d27026c364
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Update fix_nve_limit.rst
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2024-10-04 13:05:26 -04:00 |
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39def85b48
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Update fix_cmap.rst
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2024-10-04 13:04:52 -04:00 |
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b2e8648e6c
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enable deprecated APIs for HDF5
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2024-10-04 12:32:09 -04:00 |
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c4b4b7b874
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suppress nvcc warnings with libfmt version 11.0.2
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2024-10-04 11:33:33 -04:00 |
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130548156d
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Merge branch 'develop' of github.com:lammps/lammps into alphataubio-kokkos-fixes
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2024-10-04 09:30:33 -06:00 |
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2ae4062a6b
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Merge pull request #4343 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-10-04 03:59:49 -04:00 |
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01468e2720
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2024-10-04 01:41:57 -04:00 |
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6d8529f1f7
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Merge branch 'develop' into collected-small-changes
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2024-10-04 01:24:30 -04:00 |
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1263a23e9c
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Merge pull request #4345 from akohlmey/update-fmtlib
Update embedded copy of libfmt to version 11.0.2
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2024-10-04 01:22:51 -04:00 |
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d1a1a57bd9
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Merge pull request #4339 from jtclemm/small-patches
Fixing bugs in GRANULAR and mistakes in RHEO documentation
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2024-10-03 22:01:21 -04:00 |
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13ceebe82c
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fix recenter test skipped for respa
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2024-10-03 18:45:52 -04:00 |
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70dad28481
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Update fix_recenter.cpp
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2024-10-03 18:45:12 -04:00 |
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1799f887d2
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Update test_atom_styles.cpp
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2024-10-03 18:36:39 -04:00 |
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59db2e0af8
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Update atom_vec_template.cpp
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2024-10-03 18:35:28 -04:00 |
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86fc79d2de
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Update fix-timestep-wall_lj93_const.yaml
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2024-10-03 18:20:09 -04:00 |
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6f068fc067
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Update fix-timestep-wall_region_harmonic.yaml
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2024-10-03 18:19:53 -04:00 |
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bf12caf37a
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Update fix-timestep-wall_region_lj126.yaml
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2024-10-03 18:18:02 -04:00 |
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c059961b8f
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Update fix-timestep-wall_region_lj1043.yaml
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2024-10-03 18:17:39 -04:00 |
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81db0a4a80
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Update fix-timestep-wall_region_morse.yaml
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2024-10-03 18:16:41 -04:00 |
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0e10ed24fe
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fix compilation issue with MSVC++
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2024-10-03 15:19:56 -04:00 |
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f25c530c04
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recover compilation with MSVC++
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2024-10-03 14:56:28 -04:00 |
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fbc6ba4ef4
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import libfmt 11.0.1
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2024-10-03 14:43:19 -04:00 |
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4ee07bcdaf
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Recreate dump file for MS-MEAM due to changes to the code.
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2024-10-03 11:54:26 -06:00 |
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2c2ce1b327
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Update create_atoms.cpp
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2024-10-03 13:15:13 -04:00 |
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9ad3e59c8f
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Update test_atom_styles.cpp
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2024-10-03 12:38:32 -04:00 |
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5c8552f4ce
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Update atom_vec_template.cpp
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2024-10-03 12:21:10 -04:00 |
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3c5b4ebccb
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Delete charmm36.py
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2024-10-03 11:43:08 -04:00 |
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4b43f90bd6
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revert changes requested by @akohlmey
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2024-10-03 11:39:24 -04:00 |
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b5fdd8f0ae
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Revert "update atom_style template test for added charge"
This reverts commit 3ea74b1725.
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2024-10-03 10:26:24 -04:00 |
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29eafa999b
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Update src/region_sphere.h
Co-authored-by: Axel Kohlmeyer <akohlmey@gmail.com>
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2024-10-03 09:49:56 -04:00 |
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9c06e8265f
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Update src/create_atoms.cpp
Co-authored-by: Axel Kohlmeyer <akohlmey@gmail.com>
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2024-10-03 09:48:12 -04:00 |
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a9dd61f62e
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detect C++23 standard
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2024-10-03 07:38:44 -04:00 |
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adebe773d0
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bump check to C++23 and rename workflow file
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2024-10-03 07:26:40 -04:00 |
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