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46efe447fa
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tweak settings
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2022-09-08 23:55:56 -04:00 |
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45c2419c84
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fix bug exposed by extending the regex buffer
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2022-09-08 23:25:02 -04:00 |
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1fe8354c20
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must not use fdotr to compute stress tensor for dielectric pair styles due to using a full neighbor list
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2022-09-08 21:46:13 -04:00 |
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d434031200
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Merge branch 'develop' into dielectric-force-tests
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2022-09-08 16:21:27 -04:00 |
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874588c74f
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load/test pizza.py dump class only if NumPy is found
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2022-09-01 21:00:55 -04:00 |
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8d26cc96c8
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also test colname default keyword/value pair
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2022-09-01 21:00:17 -04:00 |
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ced73080b8
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more dump_modify tests
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2022-09-01 04:03:11 -04:00 |
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be53dda249
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more dump_modify testing
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2022-08-31 21:23:23 -04:00 |
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bb225c4be6
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add unit test for checking dump_modify every
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2022-08-31 17:20:04 -04:00 |
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d369c4eb15
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fix bug from incorrect use of constexpr
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2022-08-30 15:00:24 -04:00 |
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b0b62fe1ac
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fix death test
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2022-08-30 12:32:22 -04:00 |
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70a157f371
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add test for EFF package properties
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2022-08-30 11:41:52 -04:00 |
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58fcf26581
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add first tests for compute property/atom
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2022-08-29 23:32:41 -04:00 |
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74bbbb9e17
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rename "set spin" to "set spin/atom" and "set spin/random" to "set spin/atom/random"
this also adds unit tests and improves error checking and messages
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2022-08-28 19:24:32 -04:00 |
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bb6ea422b7
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avoid global namespace import in header, more consistency
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2022-08-28 17:22:26 -04:00 |
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634496b509
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consistent naming and style
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2022-08-28 17:06:38 -04:00 |
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53329f38ef
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Merge branch 'collected-small-changes' into more-set-options
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2022-08-27 17:32:49 -04:00 |
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42ef22619a
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add unit test for set and compute property/atom
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2022-08-27 16:19:28 -04:00 |
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5cd67eaa5c
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avoid file access issues on windows
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2022-08-27 13:25:02 -04:00 |
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69b32aef13
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2022-08-27 10:12:58 -04:00 |
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b31b20f336
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print error if extract_setting() uses unknown setting string.
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2022-08-27 07:02:19 -04:00 |
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2a6bd1aa6b
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update test reference data for change in coulomb energy computation
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2022-08-26 05:37:27 -04:00 |
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09165f5212
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add tabulated test for lj/cut/coul/long/dielectric
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2022-08-26 05:25:02 -04:00 |
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f1edac4c72
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must reduce cutoff to be < L/2 to get consistent newton on/off results
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2022-08-26 05:25:02 -04:00 |
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41e2f32924
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cosmetic
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2022-08-26 05:25:02 -04:00 |
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3e0fa3bec9
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add test for tabulated coulomb with dielectric
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2022-08-26 05:25:02 -04:00 |
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9b92f6bab7
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update reference data
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2022-08-26 05:25:02 -04:00 |
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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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60b00bfa8f
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update unit tests for variable command
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2022-08-25 05:48:07 -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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414b0b1475
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update unit tests
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2022-08-18 10:52:25 -04:00 |
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5ff56753da
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update unit tests for changed error messages
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2022-08-17 23:56:22 -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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