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a354ad8d64
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add pair back to the matrix entries
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2024-10-14 17:20:04 -05:00 |
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c533ca0af1
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handle the cases where num steps do not match with the reference log files
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2024-10-14 16:05:21 -05:00 |
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b9e4c6e1e7
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re-enable matrix tests
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2024-10-14 14:55:26 -05:00 |
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eadb2f2eb1
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fix the workflow file for not turning on quick
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2024-10-14 11:23:08 -05:00 |
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b0f2484441
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fix logic bug with allowing quick_max to run without requiring quick to be True
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2024-10-14 10:45:53 -05:00 |
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3e7642bc8c
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fix artifact names, allow to run quick test with a given input list
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2024-10-14 09:43:08 -05:00 |
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38500c647b
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move cursor to end of log buffer before inserting new text
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2024-10-14 09:41:45 -04:00 |
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db3416c4b3
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Apply corrections from code review by @simongravelle
Co-authored-by: Simon Gravelle <simon.gravelle@live.fr>
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2024-10-14 08:19:53 -04:00 |
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6478cd98e9
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add extract() function to angle_mesocnt.cpp
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2024-10-14 11:30:20 +02:00 |
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1a6544a04c
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add extract() function to angle_mesocnt.h
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2024-10-14 11:29:47 +02:00 |
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74af88bafd
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unit test for extract() in angle-amoeba.yaml
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2024-10-14 09:43:07 +02:00 |
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0c61cb02cc
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add extract() function to angle_amoeba.cpp
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2024-10-14 09:42:04 +02:00 |
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292ca89cb0
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add extract() function to angle_amoeba.h
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2024-10-14 09:41:23 +02:00 |
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383ae086e5
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skip in.icos due to the minimize command
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2024-10-13 22:54:54 -05:00 |
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1e63f031f0
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remove empirical filter to remove outliers from corrupted data
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2024-10-13 22:52:40 -04:00 |
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1c9daad657
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change tutorial download URL to tutorial website
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2024-10-13 21:57:17 -04:00 |
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f7291713f5
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error out when fix nve is used with additional arguments
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2024-10-13 19:34:56 -04:00 |
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8156e56617
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be more paranoid about Sphinx updates breaking extensions we use
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2024-10-13 19:31:40 -04:00 |
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c15c4d23bb
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fix spelling/syntax issues
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2024-10-13 19:30:30 -04:00 |
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eafef460e2
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silence compiler warning
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2024-10-13 19:24:35 -04:00 |
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b3b9d032fa
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cleanup, clarification and re-wrap of doc file sections
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2024-10-13 18:56:41 -04:00 |
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03d10e6bbc
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correct documentation to add "inputs local" to compute reduce commands on local data
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2024-10-13 18:56:07 -04:00 |
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4773b3e7e4
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fix indentation in the config files
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2024-10-13 15:48:29 -05:00 |
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0d894c33c4
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adjust the workflow files and config file
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2024-10-13 11:52:10 -05:00 |
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c735dc7d53
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skip in.min.box, ensure that input lists only contain unique entries
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2024-10-13 08:21:00 -05:00 |
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3e64966800
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filter out examples/fire
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2024-10-12 23:53:35 -05:00 |
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f8a8783044
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-12 20:09:59 -04:00 |
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f8db5ce2ea
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Merge pull request #4349 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-10-12 20:07:33 -04:00 |
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1ac351c84e
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unit test for extract() in angle-cross.yaml
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2024-10-12 15:19:08 +02:00 |
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7cc5f1923d
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add extract() function to angle_cross.cpp
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2024-10-12 15:17:07 +02:00 |
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02d74417c1
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add extract() function to angle_cross.h
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2024-10-12 15:16:34 +02:00 |
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29e6ca0044
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filter out input scripts for testing, remove concurrent (matrix) testing
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2024-10-11 16:18:33 -05:00 |
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b960cb213f
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revert to building with basic.cmake preset and manually include packages, refactor the get_kokkos_input script
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2024-10-11 15:36:18 -05:00 |
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e9ff0d3402
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modify the kokkos workflow file
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2024-10-11 14:42:45 -05:00 |
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8f76fcdc54
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Added a python script to get the example inputs that contain KOKKOS styles and generate the input lists for regression tests
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2024-10-11 14:18:43 -05:00 |
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f1a79e7df5
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Update fix_adapt.rst
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2024-10-11 19:55:28 +02:00 |
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e3ab697dd2
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unit test for extract() in angle-gaussian.yaml
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2024-10-11 19:49:24 +02:00 |
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ae652b31da
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unit test for extract() in bond-gaussian.yaml
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2024-10-11 19:48:18 +02:00 |
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df50691488
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small correction and clarifications
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2024-10-11 06:54:46 -04:00 |
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6d30557ec2
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Update partially fix_adapt.rst
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2024-10-11 11:08:32 +02:00 |
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391f55b377
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unit test for extract() in bond-nonlinear.yaml
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2024-10-11 11:02:55 +02:00 |
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856fd9d977
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unit test for extract() in bond-morse.yaml
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2024-10-11 11:01:57 +02:00 |
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8bc89ef8a7
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unit test for extract() in bond-class2.yaml
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2024-10-11 10:59:29 +02:00 |
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c8241dcab6
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unit test for extract() in angle-class2_p6.yaml
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2024-10-11 10:58:32 +02:00 |
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b619cce773
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add extract() function to bond_gaussian.cpp
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2024-10-11 10:54:56 +02:00 |
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7da8434d5b
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add extract() function to bond_gaussian.h
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2024-10-11 10:54:24 +02:00 |
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732ef6bd44
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add extract() function to angle_gaussian.cpp
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2024-10-11 10:53:45 +02:00 |
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44625312ea
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add extract() function to angle_gaussian.h
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2024-10-11 10:53:02 +02:00 |
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4766ddbede
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Update bond_nonlinear.cpp
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2024-10-11 10:52:21 +02:00 |
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b5386d714e
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Update extract() function to bond_morse.cpp
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2024-10-11 10:51:14 +02:00 |
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