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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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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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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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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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1d3ad36e85
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add support for visualization plane regions
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2025-02-11 07:40:42 -05:00 |
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252bd9aa9d
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must close "owned" file pointer if a different one is is assigned
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2025-02-11 05:13:07 -05:00 |
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08553a7272
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apply safe file pointer
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2025-02-10 22:48:55 -05:00 |
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c42650257f
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move AutoClose class to separate header and rename to SafeFilePtr
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2025-02-10 22:27:09 -05:00 |
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f8b13b21ec
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Merge branch 'develop' into collected-small-changes
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2025-02-10 17:57:49 -05:00 |
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c41c4086ca
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Merge pull request #4468 from akohlmey/add-region2vmd-command
Add a new region2vmd command for visualizing regions with VMD
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2025-02-10 16:57:44 -05:00 |
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d9d24300a4
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add support for ellipsoid regions
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2025-02-10 00:05:42 -05:00 |
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4cab0bfe1a
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implement all open face cases for cylinder regions
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2025-02-09 22:19:03 -05:00 |
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0de9da709c
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add support for moving regions and open faced regions
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2025-02-09 18:25:14 -05:00 |
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6bd2e0e496
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update error messages to use new Error class APIs
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2025-02-09 10:53:03 -05:00 |
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31697bac8d
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correct copy-n-modify omission
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2025-02-09 10:22:55 -05:00 |
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e00e215f99
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add support to prism regions to be exported to VMD
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2025-02-09 10:16:30 -05:00 |
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5557e03e54
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add hint about setting top molecule in VMD
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2025-02-08 23:26:43 -05:00 |
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3cd028fd01
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refactor command to be more flexible and capable
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2025-02-08 22:52:19 -05:00 |
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f693577262
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add versionadded tag
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2025-02-08 18:30:00 -05:00 |
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0a8e2f923d
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add to .gitignore
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2025-02-08 18:29:27 -05:00 |
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8a87a6068c
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use lighter color "silver"
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2025-02-08 18:23:57 -05:00 |
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c7db4e9e19
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add docs for region2vmd command
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2025-02-08 18:06:32 -05:00 |
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95858bccc6
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add region2vmd command
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2025-02-08 18:06:12 -05:00 |
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8791b29aa2
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give Region2VMD class access to protected members of region style classes
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2025-02-08 18:05:57 -05:00 |
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098bb4b3c8
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flag development version
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2025-02-08 09:08:43 -05:00 |
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314d0a0e61
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only support Python version 3.6 or later. Update and correct docs and README
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2025-02-08 05:54:26 -05:00 |
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599ff11eb0
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remove compatibility for compiling LAMMPS with Python 2.x and Python 3.5 and older
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2025-02-08 05:05:00 -05:00 |
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792144f12e
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2025-02-07 21:54:58 -05:00 |
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86f7f6da98
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Add check that Python 3 is required
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2025-02-07 21:52:17 -05:00 |
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8a1744c038
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Updates to the instructions for building the manual.
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2025-02-07 21:51:37 -05:00 |
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b188cdc044
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add check for Python version. Require minimum of Python 3.6 (Sphinx requires 3.8)
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2025-02-07 20:51:50 -05:00 |
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6eddb3a33f
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various minor tweaks and reformatting for CMake scripts
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2025-02-07 20:50:14 -05:00 |
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61a2db4715
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revise and expand global README file
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2025-02-07 19:47:05 -05:00 |
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1a636acf81
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simplify / optimize
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2025-02-07 07:34:32 -05:00 |
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ab6668031f
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explain some more about transition to C++17
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2025-02-06 20:55:40 -05:00 |
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