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cfa94dfbaf
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add support for utils::guesspath() on macos
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2021-09-08 15:14:06 -04:00 |
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9bc8e0998e
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must use Python3 version of imported target
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2021-09-07 13:34:07 -04:00 |
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909376b14b
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Merge branch 'master' into collected-small-changes
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2021-09-07 13:32:21 -04:00 |
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29505404bc
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add unit test for checking the impact of lammps_python_finalize()
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2021-09-06 17:42:18 -04:00 |
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898f8086db
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consolidate binary() member functions of Comm and Balance into utils::binary_search()
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2021-09-06 16:58:14 -04:00 |
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b8ed4b28b3
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add test for fix adapt with hybrid pair
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2021-08-31 14:28:09 -04:00 |
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4be33df8fb
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relax force test epsilon values a little for cross-platform tests
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2021-08-27 14:57:31 -04:00 |
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c7357d5731
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-08-26 05:30:50 -04:00 |
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e3af1544f1
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Merge pull request #2804 from Vsevak/tip4p_fix_types
Fix atom types handling in the tip4p/gpu kernels
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2021-08-26 01:08:19 -04:00 |
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8468d89ec8
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tweak epsilon for passing test on macOS
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2021-08-25 23:31:53 -04:00 |
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cc98f9b1e6
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add unit test
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2021-08-25 07:42:37 -04:00 |
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b55673f0a6
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add unit test
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2021-08-25 07:42:37 -04:00 |
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61b9d4a19f
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update epsilon
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2021-08-25 07:42:37 -04:00 |
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ccbf39d2c9
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add unit tests using pppm and ewald with a tilted box
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2021-08-24 16:00:26 -04:00 |
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2150fb7413
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adjust epsilon for portability
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2021-08-24 15:41:42 -04:00 |
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2239130798
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randomize bilayer data file positions to make interlayer tests more reliable
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2021-08-24 15:41:28 -04:00 |
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25d9d5dfff
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Merge pull request #2895 from rbberger/python_coverage_fix
Use .coveragerc to configure Python coverage reporting
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2021-08-24 14:07:23 -04:00 |
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a26da031aa
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Use .coveragerc to configure Python coverage reporting
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2021-08-24 11:27:30 -04:00 |
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862cb43fa9
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Enable unittest for GPU lj/cut/tip4p/long
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2021-08-24 17:07:51 +03:00 |
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cb19806020
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update ReaxFF reference data due to use of more precise constants in fix qeq/reax
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2021-08-23 20:34:44 -04:00 |
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d44edeb32e
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make clang-format custom targets in CMake similar to the ones in GNU make
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2021-08-23 18:36:44 -04:00 |
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6bc8da05b9
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reformat unittest tree with clang-format
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2021-08-23 17:06:30 -04:00 |
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8b2e3ad3ee
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add unit tests for fix addtorque
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2021-08-22 14:27:38 -04:00 |
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bb852f2393
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skip some more aliased styles
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2021-08-22 14:21:31 -04:00 |
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bb5a11b330
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add timestepping unit tests for atom style sphere
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2021-08-22 14:16:50 -04:00 |
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bf618b3128
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support tests for integrators with dipoles and extended particles
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2021-08-22 12:44:02 -04:00 |
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d9538a4745
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skip some aliases when checking for missing force style tests
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2021-08-22 11:55:37 -04:00 |
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db887b4d7a
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add unit test for angle style dipole
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2021-08-22 11:49:29 -04:00 |
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433ece22ec
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add unit test for dihedral style spherical
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2021-08-22 11:28:32 -04:00 |
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eeff288541
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tweak settings to pass OpenCL GPU tests in mixed precision
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2021-08-22 10:50:28 -04:00 |
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dd670bab66
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update dipole data file with randomized dipole orientations
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2021-08-21 20:50:16 -04:00 |
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46e4e1b60e
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add kspace tests with dipoles
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2021-08-21 20:45:25 -04:00 |
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1b72cf01a9
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add unit test inputs for pair styles with point dipoles
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2021-08-21 20:31:18 -04:00 |
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09b0809d75
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add template files for testing dipolar pair styles and kspace styles
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2021-08-21 19:18:21 -04:00 |
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3404920e98
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Merge pull request #2342 from lammps/fix-property-array
Enable fix property/atom to create custom arrays
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2021-08-19 17:33:55 -04:00 |
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11b4ae641f
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add unit test for pair style coul/exclude
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2021-08-19 05:46:12 -04:00 |
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5c46c6d3a6
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update unit test for per-atom arrays and vectors
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2021-08-18 22:51:09 -04:00 |
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300fee0437
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add some more checks for typical string matches for references to fixes and alike
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2021-08-18 12:59:56 -04:00 |
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c50abed92b
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recover compilation
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2021-08-18 12:59:31 -04:00 |
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0906e94207
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small fixes
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2021-08-17 16:13:01 -04:00 |
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05bd545cd3
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flush tiny stresses to zero to avoid false positives when testing
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2021-08-17 15:10:46 -04:00 |
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4f9941e18d
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support metal2real unit conversion in pair style drip
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2021-08-17 15:05:23 -04:00 |
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8b8cce4399
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add unit test YAML file for DRIP pair style
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2021-08-17 14:12:50 -04:00 |
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82871ca515
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Merge branch 'master' into interlayer-refactor
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2021-08-17 13:25:13 -04:00 |
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18cc43a560
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extend ArgInfo class to also accept "i2_name" and "d2_name"
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2021-08-17 12:04:58 -04:00 |
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0dbcb5dd66
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replace #define with constrexpr for better compiler error reports on integer constants
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2021-08-17 09:42:08 -04:00 |
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f24054f7b3
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test utils::fgets_trunc() with buffer size of exactly the length of string
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2021-08-17 09:41:19 -04:00 |
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7b873ffc0b
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add unit tests for ilp/graphene/hbn and kolmogorov/crespi/full
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2021-08-15 19:07:57 -04:00 |
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e9e6cdca1d
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using GPU package is not compatible with fix qeq variants
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2021-08-06 14:22:48 -04:00 |
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7068f3e77b
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add a few more test cases for testing utils::split_words()
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2021-08-04 12:02:55 -04:00 |
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