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c8ba358f67
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more debugging github runner for macos
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2024-08-07 12:20:35 -04:00 |
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a8bb296a17
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switch to verbose mode to debug GitHub runner.
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2024-08-07 11:15:13 -04:00 |
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937c17f3b8
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add tests for geturl command
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2024-08-07 10:27:48 -04:00 |
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ce4e01fb78
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author information only in cpp, kokkos version needs protected instead of private variables
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2024-08-07 00:12:11 -04:00 |
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3c524871f7
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Revert "remove include/using/enum's no longer needed"
This reverts commit 83ce042a86.
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2024-08-06 11:26:02 -04:00 |
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83ce042a86
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remove include/using/enum's no longer needed
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2024-08-06 11:25:47 -04:00 |
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056e3c0853
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comply with @akohlmey's request
- revert my DBL_EPSILON change to EXPECT_FP_LE_WITH_EPS macro
- round the reference data for global_vector() to zeros for 2 unit tests to pass
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2024-08-06 02:12:52 -04:00 |
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1166531594
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add 4 units tests for fix wall/region/kk
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2024-08-06 01:24:21 -04:00 |
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093490afad
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Update fix-timestep-nph_sphere.yaml
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2024-08-04 23:21:29 -04:00 |
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b83521b22e
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regenerated unit tests with run_torque
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2024-08-04 23:15:33 -04:00 |
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90cdb023dd
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added dipole support to kokkos version, plus 2 unit tests
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2024-08-04 22:57:05 -04:00 |
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af203f7fc7
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added run_torque and EXPECT_TORQUES
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2024-08-04 22:40:36 -04:00 |
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d1804fc776
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Merge branch 'alphataubio-kokkos-bio' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-bio
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2024-08-04 17:38:21 -04:00 |
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0e9a419593
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updated find_fix to get_fix_by_id for kokkos_omp test
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2024-08-04 01:53:08 -04:00 |
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84afef94f6
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added "fix_modify test virial yes" and regenerated yaml files
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2024-08-04 01:52:15 -04:00 |
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755fdc5986
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fix false negative floating point test
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2024-08-04 00:07:01 -04:00 |
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62a2486d95
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virial bugfix
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2024-08-02 23:59:03 -04:00 |
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0367f3ed07
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avoid memory leaks from extracting scalar data from fixes
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2024-08-02 18:17:01 -04:00 |
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2ef1e9936f
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partial bugfix (kokkos_omp test passes, fix_modify test virial yes still crashes)
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2024-08-02 11:59:57 -04:00 |
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24fc761396
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remove nodiscard warning
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2024-08-01 19:55:54 -04:00 |
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7a3ba6027b
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add option to skip death tests for use with valgrind checking of unit tests
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2024-08-01 17:38:12 -04:00 |
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99a2bd799e
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Merge branch 'develop' into kokkos-unit-testing
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2024-08-01 16:23:35 -04:00 |
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d0b023e6b5
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Merge branch 'lammps:develop' into alphataubio-kokkos-bio
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2024-08-01 16:18:15 -04:00 |
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fbf1451a2f
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add more crossterms to cmap unit test
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2024-08-01 01:28:57 -04:00 |
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3da8e9a9a5
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add cmap unit test
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2024-07-31 12:59:24 -04:00 |
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d8d3ddc140
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Merge branch 'develop' into group-bitmap-accessor
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2024-07-30 20:30:37 -04:00 |
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a5a0620dca
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When KOKKOS has been compiled with GPU support the GPU *must* be used
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2024-07-30 10:35:15 -04:00 |
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4a972c4311
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fix recenter/kk works with coords, init, null plus 3 tests
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2024-07-30 04:28:40 -04:00 |
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53ae731e09
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first draft fix recenter/kk and unit test
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2024-07-30 03:30:38 -04:00 |
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361b8c25c4
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use c++11 function to convert strings to numbers
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2024-07-30 00:34:12 -04:00 |
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d5e57ac02d
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reimplement using C++11
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2024-07-30 00:33:44 -04:00 |
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a00b396159
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re-enabled unit test
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2024-07-29 15:12:16 -04:00 |
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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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25a4117e67
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Merge branch 'develop' into group-bitmap-accessor
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2024-07-24 00:08:55 -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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