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d97c9948cb
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add force test inputs for DIELECTRIC package styles
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2022-08-26 05:25:02 -04:00 |
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55feca9c0f
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add minimal tests for dump class
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2022-08-21 14:02:39 -04:00 |
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057dff375c
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add unit test for Pizza.py modules
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2022-08-20 21:59:24 -04:00 |
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9e0e0ce310
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add support for Bi to MEAM and sc lattices. taken from unfinished PR #3261
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2022-08-18 22:50:03 -04:00 |
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92c9614429
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Merge branch 'develop' into refactor-find-xxx
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
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2022-08-17 15:48:26 -04:00 |
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ca4f7b6579
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Merge pull request #3399 from akohlmey/lookup-molecules
Refactor access to molecule templates
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2022-08-17 15:29:11 -04:00 |
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6e8db537c9
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Merge pull request #3400 from vpalkar/unit-tests
Adding unit tests and improving errors in region commands
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2022-08-17 13:19:27 -04:00 |
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559ced9869
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updated error messages and test for region.cpp
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2022-08-16 16:52:19 -04:00 |
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bec86f3f04
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added some death tests and more readable code for some error messages
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2022-08-15 16:16:48 -04:00 |
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d9320c61bb
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adding test for fix wall/region
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2022-08-15 02:13:05 -04:00 |
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29998775f0
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Added a test for region clyinder with an open face
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2022-08-14 22:48:42 -04:00 |
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89f32e43dc
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update unit test for changed error message
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2022-08-13 23:02:04 -04:00 |
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1de66a82de
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add tests for new API
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2022-08-13 16:02:58 -04:00 |
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35e93e760a
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Merge branch 'develop' into refactor-find-xxx
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2022-08-12 17:08:25 -04:00 |
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1c63159a80
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add test input for amoeba angle style
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2022-08-11 22:54:42 -04:00 |
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f9352e6ad7
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update unit test for groups
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2022-08-11 03:56:29 -04:00 |
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42594bbbb7
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Convert path to test inputs folder to native syntax on windows to make tests with file copying portable.
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2022-08-06 22:46:52 -04:00 |
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e6b47b0b4d
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make test input platform independent with is_os() variable function
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2022-08-06 21:44:49 -04:00 |
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4ac74a4153
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add is_os() special function to the variable command
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2022-08-06 21:44:03 -04:00 |
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5b0a9cea99
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use ISO_C_BINDING compatible return type
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2022-08-06 20:43:04 -04:00 |
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a9aa462a60
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use alternate way to incorporate the module via "include" in the source code
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2022-08-06 18:47:31 -04:00 |
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801d59a9ac
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correct MPI detection for Fortran
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2022-08-06 18:46:56 -04:00 |
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7bce3a92e2
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correct test for overload with/without optional format arguments
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2022-08-04 22:00:13 -04:00 |
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7232261cea
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correct unit tests for dump local
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2022-07-17 12:15:44 -04:00 |
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a393569083
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Merge pull request #3343 from yskmiyazaki/style-sdk-update
Change package name CG-SDK to CG-SPICA and add a function type LJ12-5 to the package
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2022-07-15 14:54:41 -04:00 |
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4a747fa40c
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Merge branch 'develop' into amoeba
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2022-07-13 03:14:39 -04:00 |
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be0f4917c2
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Merge branch 'lammps:develop' into style-sdk-update
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2022-07-08 19:57:44 +09:00 |
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099992f9c2
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changed file and style names for lj/spica in unittest/force-styles/tests.
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2022-07-08 18:41:50 +09:00 |
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be25a83210
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Merge pull request #3340 from akohlmey/coul-slater-exclusions
Correct excluded force and energy term for pair style coul/slater/long
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2022-07-08 03:57:43 -04:00 |
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66c1d8bbca
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update unit test
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2022-07-07 09:01:16 -04:00 |
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574818c3e9
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add unit test for utils::join_words()
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2022-07-05 00:27:28 -04:00 |
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ea48b031a4
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must not run hybrid styles with GPU package that use the same pair style twice
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2022-07-02 21:24:25 -04:00 |
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1f75740de7
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add unit test input for hybrid twobody/threebody sw style
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2022-07-02 18:32:23 -04:00 |
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67a3a7a6c1
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add unit test for twobody off and implement and test single() function
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2022-07-02 18:02:15 -04:00 |
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146b00c395
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Merge pull request #3307 from lammps/fix-mdi-aimd-enhance
MDI package enhancements
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2022-07-01 20:48:40 -04:00 |
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b6f7dd9df9
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update googletest to version 1.12.1
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2022-06-30 15:58:40 -04:00 |
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533a56404a
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add more unit tests for boolean expressions
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2022-06-29 16:45:28 -04:00 |
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bb3cd71e77
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Merge branch 'develop' into collected-small-fixes
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2022-06-29 16:43:47 -04:00 |
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793069d8eb
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update and expand unit tests for if() command boolean evaluation
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2022-06-29 12:24:43 -04:00 |
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141d09ab9b
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Merge branch 'develop' into fix-mdi-aimd-enhance
# Conflicts:
# doc/src/fix_mdi_aimd.rst
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2022-06-28 13:38:43 -04:00 |
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ae1a33aa5a
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update unit test
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2022-06-28 13:36:49 -04:00 |
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cf942e7d5f
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may check for MPI library Fortran support only if MPI is enabled
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2022-06-23 15:54:04 -04:00 |
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ec46510d2e
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add local extract_compute() tests
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2022-06-20 23:07:01 -04:00 |
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033af0c507
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add unit test for extracting local vector and array via numpy
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2022-06-20 18:48:50 -04:00 |
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063fc47f64
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tweak to avoid test failure on FreeBSD
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2022-06-19 06:38:14 -04:00 |
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25c74652e3
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remove bogus tags
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2022-06-04 04:25:13 -04:00 |
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7c4d77f776
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tweak epsilon for portability
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2022-06-03 07:36:25 -04:00 |
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2da61d69a1
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Merge pull request #3289 from akohlmey/collected-small-changes
A few last minutes updates and fixes for the next patch release
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2022-06-02 20:16:39 -04:00 |
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90add188cb
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Merge pull request #3279 from schererc/develop
Addition of two new MANYBODY pair styles (sw/angle/table and threebody/table)
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2022-06-02 14:24:44 -04:00 |
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e214013a91
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tweak epsilon to avoid failure on FreeBSD
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2022-06-02 07:53:41 -04:00 |
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