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89abf65751
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python: remove unused import in core.py
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2025-02-15 00:36:06 -07:00 |
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5e61e6c0dc
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move update to cutneighmin from neighbor lists requests with explicit cutoff to a better location
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2025-02-14 19:11:07 -05:00 |
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33026e5fd3
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correctly compute cutneighmin when multiple requests with different cutoff exist
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2025-02-14 18:41:08 -05:00 |
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79ed41837a
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fix some more errors
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2025-02-14 17:17:04 -05:00 |
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344bcc2304
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Fix view with wrong label
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2025-02-14 15:03:36 -07:00 |
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ca5015eaea
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correct compute argument count check, avoid segfault
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2025-02-14 16:55:09 -05:00 |
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7f82dcd835
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improve and modernize error messages
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2025-02-14 15:23:16 -05:00 |
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0fb79ae3ff
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Updated reference
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2025-02-14 10:30:50 -06:00 |
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c83ae0365e
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fix typo ncite in test_improper_style.cpp
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2025-02-14 09:09:10 +02:00 |
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2a35452c13
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fix typo and add new line
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2025-02-14 06:40:01 +00:00 |
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52312fcd1d
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test for extract() in improper class
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2025-02-14 06:22:29 +00:00 |
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d83121878e
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make certain that Contact::varflag is initialized
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2025-02-13 20:54:46 -05:00 |
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b42cc2f588
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make C++11 compatible
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2025-02-13 20:39:18 -05:00 |
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00b33b749b
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2025-02-13 20:35:14 -05:00 |
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36e739b734
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Merge pull request #4470 from akohlmey/bye-bye-python-zwei
Remove support for Python 2.x and show corresponding errors.
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2025-02-13 19:44:07 -05:00 |
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53213fb6ff
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fix spelling issues
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2025-02-13 18:27:08 -05:00 |
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f4d2653cda
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add dummy section that is referenced from local TOC
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2025-02-13 17:57:31 -05:00 |
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ad51ef5aff
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don't use :ref: on a docpage
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2025-02-13 17:56:14 -05:00 |
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8dc7d254dc
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add section about segmentation faults
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2025-02-13 17:55:55 -05:00 |
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966ca42463
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merge 'develop'
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2025-02-13 17:13:28 -05:00 |
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67ef0407bd
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must have a move constructor for some compilers
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2025-02-13 17:01:44 -05:00 |
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1c65907d72
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Merge branch 'develop' into bye-bye-python-zwei
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2025-02-13 17:01:39 -05:00 |
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2a2e9919cf
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remove preliminary (and broken) code for creating planes and update docs, so the PR can be merged
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2025-02-13 17:01:13 -05:00 |
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f84ed6f9a4
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must have a move constructor for some compilers
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2025-02-13 16:54:28 -05:00 |
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8ab8491da5
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Merge branch 'develop' into collected-small-changes
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2025-02-13 16:43:27 -05:00 |
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52f068d1c5
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Merge pull request #4466 from akohlmey/collected-small-changes
Collected small changes and fixes
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2025-02-13 16:32:23 -05:00 |
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bedcc59f83
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remove preliminary (and broken) code for creating planes and update docs, so the PR can be merged
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2025-02-13 15:32:36 -05:00 |
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583f7b70b4
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Fix rare bug in KOKKOS, manifest when load balancing on GPUs and exchange comm is on host
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2025-02-13 12:41:16 -07:00 |
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73852524dd
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Merge branch 'develop' into bye-bye-python-zwei
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2025-02-13 03:17:53 -05:00 |
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0f972a87fd
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adjust some wording for the removal of Python 2.x compatibility
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2025-02-12 22:04:18 -05:00 |
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ea2eb930c5
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clarify
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2025-02-12 21:47:11 -05:00 |
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63d8915562
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make use of SafeFilePtr
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2025-02-12 21:47:02 -05:00 |
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926f336962
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add some note about build prerequisites
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2025-02-12 21:46:37 -05:00 |
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adfe84913f
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fix bogus array size bug
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2025-02-12 17:58:34 -05:00 |
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2e398bd17c
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improve error messages
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2025-02-12 16:31:51 -05:00 |
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1d362a7627
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must call region->prematch() before creating graphics to update variables
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2025-02-12 16:31:14 -05:00 |
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98f3a0a1ba
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refactor cone visualization to match what LAMMPS is showing
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2025-02-12 15:28:13 -05:00 |
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66ec1ff360
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make resolution of VMD graphics primitives a compile time constant.
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2025-02-12 12:09:29 -05:00 |
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7af11fe604
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make more use of SafeFilePtr class.
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2025-02-12 10:35:02 -05:00 |
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944e50b06a
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need to define another constructor to make the SafeFilePtr class work for more cases
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2025-02-12 10:34:21 -05:00 |
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5b7bf1951e
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simplify logic for drawing a cylinder region
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2025-02-12 05:42:51 -05:00 |
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5479ac32d4
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Adding errorurl for missing bond atom error
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2025-02-11 16:06:20 -07:00 |
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c1fb8cbf69
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allowing bonds to break/create faster
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2025-02-11 15:15:25 -07:00 |
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d8893ea501
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Heading to rheo citeme's
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2025-02-11 14:55:52 -07:00 |
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ac1221602b
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revert unnecessary renaming in improper harmonic
and sqdistharm files
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2025-02-11 20:23:21 +00:00 |
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47977a2821
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Avoiding assumptions that array pointers are unchanged, misc clean ups in RHEO
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2025-02-11 12:16:05 -07:00 |
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ba14ce210c
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Fixing mistakes & clarifying BPM files
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2025-02-11 10:42:56 -07:00 |
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889b33df4a
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missed revert in improper_distharm.cpp
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2025-02-11 16:26:35 +02:00 |
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0b47e90008
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revert renaming of variables in improper_distharm.cpp
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2025-02-11 16:24:47 +02:00 |
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89ceb73ec5
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revert renaming in improper_distharm.h
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2025-02-11 16:21:21 +02:00 |
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