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d84b12ea63
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define EPSILON consistently as static constexp
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2024-07-29 11:57:46 -04:00 |
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eeaa1eadeb
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add test for value tokenizer to check limits
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2024-07-29 11:57:09 -04:00 |
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45795acdbf
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import bugfix for dihedral style charmmfsw from PR #4190. Test passes.
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2024-07-28 03:28:59 -04:00 |
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8751d07375
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fix bug in dihedral_charmmfsw_kokkos and update tests
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2024-07-27 23:38:03 -04:00 |
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517fadd167
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skip kokkos_omp tests for now since they are failing
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2024-07-27 21:11:21 -04:00 |
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83297a1071
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extend force style testers for bonded interactions to check KOKKOS/OpenMP
selectively imported from PR #4190 by @alphataubio
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2024-07-27 21:06:52 -04:00 |
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a5d0efcd5b
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make test environment consistent across all force tests
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2024-07-27 20:42:42 -04:00 |
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16fabe83ae
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Merge branch 'develop' into kokkos-unit-testing
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2024-07-27 03:27:35 -04:00 |
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590c7dcf8f
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Merge branch 'lammps:develop' into spica-kk
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2024-07-25 13:54:44 -04:00 |
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c25f9032ad
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add unit test inputs for fix epot/lepton
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2024-07-25 05:24:40 -04:00 |
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91931f0ea2
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
# Conflicts:
# doc/src/Tools.rst
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2024-07-23 17:04:36 -04:00 |
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9fd21fa065
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Remove lammps-shell tool as it has been superseded by LAMMPS-GUI
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2024-07-22 06:43:10 -04:00 |
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4daba292d7
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add unit tests for library interface function lammps_extract_pair() and python equivalent
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2024-07-16 18:30:45 -04:00 |
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d7792956d6
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bugfix for unittest/fortran/wrap_configuration.cpp
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2024-07-15 17:47:22 -04:00 |
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046f57625a
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Merge branch 'develop' into collected-small-changes
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2024-07-15 13:10:35 -04:00 |
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58513320d3
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core files: replace sprintf with snprintf
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2024-07-13 15:33:56 -06:00 |
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47af1775c2
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update test since we have now one invocation also during setup
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2024-07-11 15:02:03 -04:00 |
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fdf9ffee73
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use auto for type
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2024-07-06 00:52:27 -04:00 |
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f05c87cd43
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use proper const qualifier
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2024-07-05 21:31:52 -04:00 |
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a3bacfca65
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more unit tests for tokenizer functions constains() and matches()
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2024-07-05 18:55:55 -04:00 |
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8fcde04097
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add a "matches()" method to the Tokenizer and ValueTokenizer classes using utils::strmatch()
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2024-07-05 15:45:49 -04:00 |
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da2bd44b73
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modernize and reformat with clang-tidy and clang-format
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2024-07-04 11:17:54 -04:00 |
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dc07a75011
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whitespace
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2024-06-30 18:36:18 -04:00 |
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d75e66dc71
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add unit tests for lammps_extract_variable()
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2024-06-30 18:32:37 -04:00 |
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246698d3c2
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Timer::_timeout should be double and it should be allowed to have fractions.
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2024-06-29 03:43:26 -04:00 |
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e3fb1f24bd
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Merge branch 'develop' into collected-small-changes
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2024-06-25 19:41:45 -04:00 |
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03695ac9b1
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remove temporary files
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2024-06-25 19:39:48 -04:00 |
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01a85639f9
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Merge branch 'develop' into kokkospod
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2024-06-23 03:56:39 -04:00 |
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5207b93fd8
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small update for consistency
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2024-06-22 20:33:44 -04:00 |
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7e7f3c08f4
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make check more specific but accelerator compatible
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2024-06-22 20:29:26 -04:00 |
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e6042c7db2
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Merge branch 'develop' into spica-kk
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2024-06-22 20:27:00 -04:00 |
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fb529bb9e8
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trigger calling Fix::reset_dt() which may cause segfaults with respa
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2024-06-22 20:04:40 -04:00 |
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9dc85dec54
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apply clang-format
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2024-06-22 20:04:09 -04:00 |
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5693c8ac33
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modernize fix instance lookup
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2024-06-22 20:03:14 -04:00 |
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778d11c79e
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-06-19 14:46:04 -04:00 |
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629a9cbe3d
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Merge pull request #4188 from Eddy-Barraud/dpd_charged
add pair styles dpd/coul/slater/long and dpd/coul/slater/long/gpu
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2024-06-19 13:50:46 -04:00 |
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c4f5605518
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Merge pull request #4197 from rbberger/library_interface_update
library: add comm->procgrid to extract_global
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2024-06-19 12:04:07 -04:00 |
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ef902b03f9
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Merge branch 'develop' into collected-small-changes
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2024-06-19 12:02:56 -04:00 |
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4e0bf6137d
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Merge pull request #4110 from uf3/ml-uf3
Implementation of pair_style uf3 and uf3/kk
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2024-06-19 11:43:32 -04:00 |
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0aff26705c
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correct force style input
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2024-06-19 10:40:19 -04:00 |
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83a024b26b
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add force style test
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2024-06-18 21:41:34 -04:00 |
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2a132dfe8f
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add tests for PyLammps to check new exports
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2024-06-18 21:13:33 -04:00 |
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19a8313578
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switch proc_grid to procgrid with backward compatibility for PyLammps
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2024-06-18 21:13:14 -04:00 |
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d2ea3b1ac5
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add some tests for new features
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2024-06-15 08:28:52 -04:00 |
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241d36b14e
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skip kokkos_omp test for dihedral_style_charmmfsw
pair_style lj/charmmfsw/coul/charmmfsh is not available in kokkos so the kokkos unit test for dihedral_style charmmfsw fails.
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2024-06-14 14:48:57 -04:00 |
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1c4b2d460b
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remove respa from kokkos_omp tests
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2024-06-14 14:47:56 -04:00 |
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360d59fc88
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Create dihedral-charmmfsw-kokkos.yaml
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2024-06-13 12:32:09 -04:00 |
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424fb7ce06
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Revert "Update dihedral-charmmfsw.yaml"
This reverts commit 1eb8afcba4.
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2024-06-13 12:28:49 -04:00 |
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af9d97ea07
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Revert "added dihedral charmfsw kokkos test"
This reverts commit 95af3cdab2.
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2024-06-13 12:27:56 -04:00 |
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95af3cdab2
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added dihedral charmfsw kokkos test
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2024-06-13 12:27:08 -04:00 |
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