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569a000e6b
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reformat unittest sources with clang-format
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2020-11-25 16:51:41 -05:00 |
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849e5ffee2
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add option to extract newton_bond/newton_pair settings
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2020-11-25 16:51:37 -05:00 |
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abdfcceab2
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Merge branch 'master' into bond_gaussian
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2020-11-25 15:50:54 -05:00 |
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7aa45ea816
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Add numpy variants of extract_variable tests
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2020-11-23 14:14:29 -05:00 |
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ebf3c180c2
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Add unit test for extract_global (LAMMPS_DOUBLE)
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2020-11-23 13:43:15 -05:00 |
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2ce10cc435
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Add unit test for get_thermo
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2020-11-23 13:35:17 -05:00 |
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3ddc1e680c
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Add unit test for extract_variable (atomstyle)
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2020-11-23 13:14:15 -05:00 |
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5ff0c3d4f0
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Add unit test for extract_variable (equalstyle)
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2020-11-23 13:07:00 -05:00 |
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49a1683dda
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Merge branch 'master' into python_interface_coverage
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2020-11-23 11:47:23 -05:00 |
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2d69051cdf
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add documentation for sublo/subhi extracted flags. add corresponding entries to get data type.
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2020-11-19 19:24:36 -05:00 |
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371b1a80e3
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add support for '-in none' for multi-partition runs from the library interface
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2020-11-19 18:58:21 -05:00 |
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7450d9547a
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add tests for accessing world/universe size and rank with different MPI settings
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2020-11-19 13:52:26 -05:00 |
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6acc69ddd2
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reformat with clang-format
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2020-11-19 13:51:32 -05:00 |
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9ea025295d
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need to define LAMMPS_LIB_MPI to make lammps_open() visible
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2020-11-19 11:33:15 -05:00 |
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96dece97ef
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Merge branch 'master' into mpi_tests
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2020-11-19 11:22:58 -05:00 |
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1002383a45
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Merge branch 'master' into replicate-template-fixes
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2020-11-18 10:37:57 -05:00 |
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898ffc7d80
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Merge branch 'master' into reset-invalid-image-flags
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2020-11-18 10:36:54 -05:00 |
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af179f9901
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yaml file for angle gaussian
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2020-11-14 17:20:13 +01:00 |
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80d9b22105
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yaml file for bond gaussian
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2020-11-14 16:52:26 +01:00 |
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4a8c458634
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Update comment
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2020-11-13 17:21:41 -05:00 |
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bfd71f330b
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Simplify other AtomStyles tests
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2020-11-13 17:03:52 -05:00 |
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5d79ba12d7
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Use macro for better message during failure
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2020-11-13 15:14:40 -05:00 |
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504e675023
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Splitting up long test methods
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2020-11-13 13:21:49 -05:00 |
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e6c844d719
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Simplify template and template_charge test cases
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2020-11-13 13:11:16 -05:00 |
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00557e00a4
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Add AtomState struct and ASSERT helpers
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2020-11-13 12:35:25 -05:00 |
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d5169a9dc2
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Add Python unit tests for extract_box and reset_box
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2020-11-12 12:29:13 -05:00 |
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a96cb43957
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Merge branch 'master' into reset-invalid-image-flags
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2020-11-11 16:15:11 -05:00 |
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c76eb66286
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Update the EXPECTT_TRUE to ASSERT_TRUE
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2020-11-10 17:06:42 -06:00 |
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2aa26a1b8f
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Update the kim_query assertions
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2020-11-10 17:04:58 -06:00 |
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2f3cbfed13
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add CMake code to download and compile libyaml if not found locally
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2020-11-10 17:58:26 -05:00 |
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12011cdca3
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Commenting the extra tests that need network access
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2020-11-10 16:25:50 -06:00 |
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7fcd7638f7
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Update the kim_query unittest with several cases
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2020-11-10 16:24:43 -06:00 |
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6056171b45
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Merge pull request #2451 from akohlmey/update-fmtlib
Update bundled fmtlib to version 7.1.2
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2020-11-09 13:10:37 -05:00 |
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26a8d875e9
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whitespace fix
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2020-10-29 14:52:22 -04:00 |
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f2b9db0de4
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update atom style tester to test replicate for atom style template
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2020-10-29 06:21:54 -04:00 |
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bf87c0dc56
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add (incomplete) unit test for atom style template
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2020-10-28 15:43:36 -04:00 |
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5dc09ae3c0
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increase timeout, properly handle timeouts, and fix symbol lookup in exception handling
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2020-10-27 17:16:47 -04:00 |
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5159d255a7
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update bundled fmtlib to version 7.1.0
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2020-10-26 11:02:09 -04:00 |
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b931501711
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add utils::path_dirname() to complement utils::path_basename()
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2020-10-23 20:40:18 -04:00 |
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c7a10050c2
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Merge pull request #2439 from akohlmey/collected-small-changes
Collected small changes for the next release
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2020-10-22 17:23:49 -04:00 |
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a14b38ce21
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avoid bell
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2020-10-21 22:23:45 -04:00 |
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bb32cbc223
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add a few more tests for the lammps-shell
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2020-10-21 22:07:38 -04:00 |
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ac6f85f8be
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make expansion of internal command unambiguous
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2020-10-21 21:14:53 -04:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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18091f15e0
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Merge branch 'master' into collected-small-changes
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2020-10-14 13:11:30 -04:00 |
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2026636f72
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overview description for the unit test folders
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2020-10-13 22:00:10 -04:00 |
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acbb54d35f
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tweak testing and add at test run for history expansion
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2020-10-13 21:32:48 -04:00 |
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f003a6c536
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implement a test prototype for the LAMMPS shell
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2020-10-13 20:36:24 -04:00 |
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8ab5f3c71a
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adjust recently added/expanded tests so they skip tests when packages are missing
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2020-10-13 15:42:21 -04:00 |
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e23774ed56
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include "pointers.h" to avoid include file name conflicts when compiling with USER-VTK enabled
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2020-10-13 15:26:38 -04:00 |
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