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a7084c8fdb
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Merge remote-tracking branch 'origin/develop' into kokkos_unittests
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2022-02-07 13:04:59 -05:00 |
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7ee7d0c570
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apply clang-format
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2022-01-30 17:18:40 -05:00 |
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d62e25decc
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don't specify default working directory for tests explicitly
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2022-01-29 11:10:23 -05:00 |
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7978bf671d
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use canonical syntax for adding tests
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2022-01-28 21:12:13 -05:00 |
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8dd61144cb
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Merge branch 'develop' into kokkos_unittests
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2021-12-20 10:54:27 -05:00 |
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878dd746db
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reduce warnings and improve portability
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2021-12-09 13:55:53 -05:00 |
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62b236a7cd
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Use platform::path_join in unittest tree and remove redundant code
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2021-11-22 15:34:23 -05:00 |
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6479116419
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Merge branch 'develop' into multi-config-support
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2021-11-02 16:39:12 -04:00 |
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ad81dd3960
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recover original new style library target names through ALIAS library definitions
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2021-10-22 08:23:49 -04:00 |
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d8db9dd3ac
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Merge branch 'develop' into multi-config-support
# Conflicts:
# cmake/Modules/GTest.cmake
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2021-10-21 10:26:31 -04:00 |
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a0b25acf35
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refactor loops using (auto var : container) syntax
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2021-10-20 21:58:31 -04:00 |
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2fba6b44e4
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use '= default' when default functions should be used
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2021-10-13 23:59:05 -04:00 |
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daa39d680c
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simplify
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2021-09-11 13:43:25 -04:00 |
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84c945f7fb
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Use multi-config compatible way to integrate googletest for unit testing
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2021-09-11 04:50:04 -04:00 |
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8c3924352d
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only check for meminfo[2] on platforms we know to be supported
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2021-09-08 23:02:56 -04:00 |
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cc87e7eee3
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add unit test for c-library interface function lammps_gather_bonds()
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2021-07-26 20:59:14 -04:00 |
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f6e9c30818
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update unit tests
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2021-07-21 00:47:10 -04:00 |
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1c4e8aba12
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add tests for per-atom values, global energy with pf/array mode
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2021-07-19 00:29:27 -04:00 |
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fa654f2270
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add support for set_vector for fix external in c-library, python and unittest
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2021-07-16 23:41:25 -04:00 |
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5912d0a1c2
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add support for setting global energy for fix external to python module
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2021-07-16 17:43:44 -04:00 |
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f3dc13c9dd
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expand library interface for fix external functionality
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2021-07-16 17:29:15 -04:00 |
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88e363c0bb
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document and add unit tests for lammps_set_fix_external_callback()
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2021-07-16 14:51:04 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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2e6a0112d3
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update URLs in some more files
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2021-05-24 16:19:37 -04:00 |
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0f7a41590d
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fix bug in lammps_reset_box() no-box check and error out when atoms exist
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2021-05-13 12:46:43 -04:00 |
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7244ccf8b1
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update format
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2021-04-03 11:04:02 -04:00 |
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cfc39b5a73
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complete porting python neighborlist test to c-library version
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2021-04-03 10:44:07 -04:00 |
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1a48667026
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add minimal test for neighbor list functions
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2021-04-03 10:25:14 -04:00 |
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cea4298946
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silence LAMMPS output, if requested
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2021-04-03 10:25:03 -04:00 |
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432ccffb3e
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find manybody potentials
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2021-04-03 10:23:31 -04:00 |
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487c55edf0
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simplify and apply clang-format
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2021-03-24 11:24:55 -04:00 |
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47b305b558
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with the new llvm based intel compiler getrusage.mu_maxrss is zero
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2021-03-15 00:07:57 -04:00 |
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5f3649ed95
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correctly process strings with DOS-style CR-LF in lammps_commands_string()
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2021-03-13 15:48:22 -05:00 |
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1f109b0db2
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update unittest for lammps_config_has_mpi() change
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2021-02-17 15:50:45 -05:00 |
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db841dd412
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correct return value when no packages are installed
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2021-02-17 15:28:44 -05:00 |
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c810cda64c
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must free MPI communicators created by MPI_Comm_split()
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2021-02-08 10:40:20 -05:00 |
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d49f021c8b
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silence compiler warnings
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2021-01-18 14:40:23 -05:00 |
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fec52f6a48
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make CMake script formatting more consistent
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2020-12-29 10:40:39 -05:00 |
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ba64e7c75c
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simplify/improve multi-partition test
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2020-12-17 07:20:53 -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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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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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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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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939b8fd0c7
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Update add_mpi_test() CMake function
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2020-10-13 11:44:11 -04:00 |
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