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2440564bef
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Update unit test in improper-cossq.yaml
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2025-02-06 21:23:36 +02:00 |
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ced5fd3240
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Update unit test in improper-umbrella.yaml
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2025-02-06 21:22:05 +02:00 |
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c918c7b547
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Update unit test in improper-inversion_harmonic.yaml
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2025-02-06 21:20:41 +02:00 |
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f9b7013af3
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Update unit test in improper-sqdistharm.yaml
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2025-02-06 21:18:53 +02:00 |
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33f5057488
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Update unit test in improper-distance.yaml
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2025-02-06 21:17:27 +02:00 |
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22898fc8fc
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Update unit test in improper-distharm.yaml
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2025-02-06 21:16:33 +02:00 |
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72d2b70125
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Update unit test in improper-ring.yaml
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2025-02-06 21:15:28 +02:00 |
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61f4012300
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Update unit test in improper-harmonic.yaml
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2025-02-06 21:14:46 +02:00 |
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24f40c7db4
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Update unit test in improper-cvff.yaml
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2025-02-06 21:13:38 +02:00 |
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ea9166d175
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implement extract in improper distharm
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2025-02-06 17:24:52 +02:00 |
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676add28fe
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define extract in improper distharm
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2025-02-06 17:24:13 +02:00 |
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34e89bed4c
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implement extract in improper sqdistharm
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2025-02-06 17:23:40 +02:00 |
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ee7b0840ef
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define extract for improper sqdistharm
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2025-02-06 17:22:50 +02:00 |
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62e7698a44
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implement extract in improper inversion_harmonic
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2025-02-06 17:21:46 +02:00 |
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3cd0871083
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define extract for improper inversion_harmonic
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2025-02-06 17:20:42 +02:00 |
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52457d6c1e
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implement extract for improper distance
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2025-02-06 17:18:13 +02:00 |
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60181e2a8a
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define extract for improper distance
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2025-02-06 17:17:17 +02:00 |
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61a29f5421
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implement extract for improper ring
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2025-02-06 17:16:41 +02:00 |
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01d091d8d6
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define extract for improper ring
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2025-02-06 17:15:36 +02:00 |
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ca6ab28536
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implement extract for improper cossq
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2025-02-06 17:14:54 +02:00 |
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de6f17c0ce
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define extract for improper cossq
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2025-02-06 17:13:56 +02:00 |
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7df94e179c
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fix error in improper_cvff.cpp
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2025-02-06 17:12:22 +02:00 |
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5233b21c21
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implement extract in improper umbrella
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2025-02-06 17:11:38 +02:00 |
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59915a3b6a
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define extract in improper umbrella
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2025-02-06 17:09:07 +02:00 |
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a21b92f4de
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implement extract in improper cvff
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2025-02-06 17:08:24 +02:00 |
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36c2770383
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define extract for improper cvff
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2025-02-06 17:06:55 +02:00 |
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84dbfa3e0d
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include files in fix_adapt.cpp
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2025-02-06 15:46:29 +02:00 |
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43d9d6af3e
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Update fix_adapt.h
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2025-02-06 15:44:12 +02:00 |
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a2508fef13
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implement extract in improper harmonic
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2025-02-06 15:41:20 +02:00 |
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dda23a20b7
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define extract for improper harmonic
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2025-02-06 15:39:46 +02:00 |
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feea204f7c
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implement reinit & set reinitflag flag to 1
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2025-02-06 15:37:59 +02:00 |
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95797d643b
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addition of extract & reinit methods in improper.h
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2025-02-06 15:31:04 +02:00 |
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04cad88b55
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we can include ML-RANN package now in VLA check
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2025-02-06 00:10:17 -05:00 |
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97e7baf33f
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get rid of non-standard variable-length arrays in ML-RANN package
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2025-02-05 23:41:36 -05:00 |
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3ed6716b65
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clarify that bad dynamics may occur in the documentation
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2025-02-05 10:35:54 +02:00 |
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fa285d9733
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Merge branch 'develop' into BPM
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2025-02-04 16:02:57 -07:00 |
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e178f593be
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Adding BPM contribution statements
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2025-02-04 15:49:01 -07:00 |
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4a3394b300
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Adding references to bpplastic bpm bond style
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2025-02-04 15:42:01 -07:00 |
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892c20cc20
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fixing typo
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2025-02-04 15:36:48 -07:00 |
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acb9fdfc24
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fix doc spacing for bpm/spring
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2025-02-04 15:34:54 -07:00 |
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2ae07ec1cb
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sync C++ standard selection with main CMakeLists.txt file
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2025-02-04 17:00:12 -05:00 |
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edaab05db6
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Tweaking BPM plastic example parameters
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2025-02-04 13:12:35 -07:00 |
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c10219da9e
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Merge pull request #4451 from akohlmey/next_release
Step version strings for next feature release
patch_4Feb2025
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2025-02-04 13:31:31 -05:00 |
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2777984355
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Merge pull request #4461 from akohlmey/last-minute-fixes
Last minute fixes for next feature release
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2025-02-04 09:51:39 -05:00 |
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262ff223c6
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make clear that the vector should be all constant or all equal variables
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2025-02-04 13:56:22 +02:00 |
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3fb8857be5
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relax epsilon for tests on ARM64
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2025-02-03 22:19:12 -05:00 |
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113b2e47f0
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must set val.iarg before processing any arguments
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2025-02-03 22:18:45 -05:00 |
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a01ac8c907
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use byref() instead of pointer() to pass pointers to ctypes objects to C
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2025-02-03 22:18:17 -05:00 |
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995d6ab41f
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Merge branch 'develop' into next_release
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2025-02-03 17:55:37 -05:00 |
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87dae19019
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Merge pull request #4459 from akohlmey/collected-small-fixes
Collected small fixes and changes
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2025-02-03 17:43:41 -05:00 |
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