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f6e39d14b0
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change chi to chi0 in improper_harmonic.cpp
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2025-02-10 18:37:47 +02:00 |
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ec0afc3fdf
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change chi to chi0 in improper_harmonic.h
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2025-02-10 18:35:37 +02:00 |
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6abdedc75b
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change chi to chi0 in improper-harmonic.yaml
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2025-02-10 18:34:15 +02:00 |
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7cf3ff588e
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include table with impropers in fix_adapt.rst
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2025-02-09 16:54:15 +02:00 |
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d11c8b3e1e
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Update text for improper style in fix_adapt.rst
Update text though a table with the potentials is not included
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2025-02-09 15:08:02 +02:00 |
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fe3c8487de
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implement check_itype in improper_hybrid.cpp
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2025-02-09 14:48:10 +02:00 |
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c0ef702af5
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define chech_itype in improper_hybrid.h
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2025-02-09 14:46:18 +02:00 |
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f7a43b94a6
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fix error: ‘else’ without a previous ‘if’
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2025-02-09 14:39:48 +02:00 |
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e4a16556db
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implement the actual code to adapt improper parameters in fix_adapt.cpp
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2025-02-09 14:26:28 +02:00 |
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49b5e89258
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Update unit test in improper-fourier.yaml
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2025-02-08 19:06:08 +02:00 |
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e954bdfc14
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implement extract in improper_fourier.cpp
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2025-02-08 19:04:43 +02:00 |
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2a2a7a3113
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define extract in improper_fourier.h
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2025-02-08 19:01:56 +02:00 |
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66117414dd
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implement extract in improper_amoeba.cpp
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2025-02-08 18:56:38 +02:00 |
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38d28fb426
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define extract for improper amoeba
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2025-02-08 18:55:33 +02:00 |
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d384de354a
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Update unit test in improper-class2.yaml
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2025-02-07 09:31:28 +02:00 |
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26e1b5d101
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implement extract in improper_class2.cpp
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2025-02-07 09:29:41 +02:00 |
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909796b858
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define extract for improper class2
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2025-02-07 09:28:18 +02:00 |
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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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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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