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a5b66f02d1
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update docs
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2025-01-18 22:19:43 -05:00 |
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7ffe04ca92
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discuss that only turning off bonds can lead to "bond atom missing" errors
also make notes and this warning stand out more by using adminition boxes
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2025-01-18 09:08:08 -05:00 |
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e38c13a764
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add strcompress function and use it for error output
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2025-01-17 22:59:44 -05:00 |
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9b443c9a4d
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add utility function to compare two string while ignoring whitespace
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2025-01-17 14:06:30 -05:00 |
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5a45ef6994
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explain error message output for users
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2025-01-17 10:35:34 -05:00 |
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a4cc00041c
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add notes about errors and warnings and log output
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2025-01-17 05:13:25 -05:00 |
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4afdf493d7
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integrate and adapt contents from PR #4028 by @alphataubio
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2025-01-15 06:05:25 -05:00 |
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89370efe39
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Merge branch 'develop' into develop
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2025-01-14 19:12:14 -05:00 |
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0fe7fbdb42
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Merge branch 'develop' into pair_d3
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2025-01-14 16:05:29 -05:00 |
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c2868c448e
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2025-01-13 20:34:14 -05:00 |
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754517dcf6
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2025-01-13 20:32:01 -05:00 |
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6d7926a026
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add missing lammps_expand() function
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2025-01-13 19:13:34 -05:00 |
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55a3b28f7d
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replace CR-LF with LF
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2025-01-13 16:19:40 -05:00 |
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742c869534
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Merge branch 'develop' into gsalkuin/develop
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2025-01-13 16:08:18 -05:00 |
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be048fc636
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cosmetic changes
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2025-01-13 16:01:18 -05:00 |
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ddff545a4c
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Merge pull request #4431 from Becksteinlab/imd-v3-integration
Interactive Molecular Dynamics [IMD] Version 3 implementation
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2025-01-13 15:59:41 -05:00 |
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62aa803d53
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order list of removed commands and packages in reverse order of their removal date
also add an (automatic) table of contents simplify finding something
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2025-01-13 12:03:31 -05:00 |
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686326a999
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2025-01-13 01:05:48 -05:00 |
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dd6fea3fcd
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Merge branch 'develop' into cmake-cpp-std-deprecation
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2025-01-12 23:54:50 -05:00 |
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f50edb5a38
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Merge pull request #4369 from rbberger/deprecate_pylammps
Python interface updates
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2025-01-12 23:30:22 -05:00 |
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2df402c4ff
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Merge branch 'develop' into cmake-cpp-std-deprecation
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2025-01-12 21:47:02 -05:00 |
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a5c3305c42
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sync with lammps tutorials paper description
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2025-01-12 15:09:42 -05:00 |
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dce1231052
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add a lammps_eval() function to the C library interface and all derived wrappers
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2025-01-12 00:39:18 -05:00 |
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8b2c852121
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correct and update the Python Howto
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2025-01-11 17:54:44 -05:00 |
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dbc6f77e53
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Merge branch 'develop' into deprecate_pylammps
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2025-01-10 16:01:06 -07:00 |
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5a0222153a
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small doc updates and corrections
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2025-01-10 12:15:24 -05:00 |
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e858c8a78d
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Merge branch 'develop' into angle-mwlc
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2025-01-10 14:33:50 +08:00 |
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6bdc58baaf
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improved the documentation
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2025-01-10 14:05:19 +08:00 |
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c7ae973948
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more edits to angle_mwlc documentation
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2025-01-10 12:02:27 +08:00 |
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a769b3d6b2
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Merge branch 'develop' into collected-small-changes
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2025-01-09 11:17:05 -05:00 |
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9c1da4cbc9
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whitespace fix in doc
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2025-01-08 22:45:38 -08:00 |
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090e55b1d8
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Merge branch 'develop' into develop
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2025-01-08 22:42:31 -08:00 |
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9a513ca82c
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2025-01-08 21:54:04 -05:00 |
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494f58904c
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correct reference
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2025-01-08 20:54:04 -05:00 |
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6a363d441b
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small formatting tweaks, add versionadded tag
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2025-01-08 20:52:45 -05:00 |
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02a8a9d706
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make LAMMPS_ASYNC_IMD a CMake variable, too, and document it properly
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2025-01-08 20:50:16 -05:00 |
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1ebf591592
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Merge branch 'develop' into imd-v3-integration
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2025-01-08 16:13:50 -07:00 |
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24763bfd8e
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add info on how to debug if LAMMPS seems stuck
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2025-01-08 12:24:13 -05:00 |
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cbab95e569
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update for more clarity
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2025-01-08 10:04:06 -05:00 |
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8595d8f05c
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Merge branch 'develop' of github.com:lammps/lammps into kk_update_4.5.0
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2025-01-07 10:04:43 -07:00 |
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cec242a421
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remove trailing whitespace
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2025-01-06 12:30:45 -07:00 |
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670447ea21
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correct list of valid reference syntax to computes, fixes, and properties
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2025-01-04 16:22:05 -05:00 |
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735606a0b5
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document inclusion of WHAM
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2025-01-02 18:03:56 -05:00 |
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908c2aaf5e
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Merge branch 'develop' into develop
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2024-12-29 20:35:47 -08:00 |
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9dbb9d356d
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reformulate to avoid command-line
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2024-12-29 12:05:07 -05:00 |
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0bdaece1f0
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add keyboard shortcut and context menu entry for jump to next warning
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2024-12-29 11:35:44 -05:00 |
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73eeda3b1d
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display panel with number or warnings and lines in output window, button for jumping to next warning
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2024-12-28 18:44:44 -05:00 |
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211099b7ca
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small updates and corrections to the LAMMPS-GUI howto
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2024-12-27 22:57:51 -05:00 |
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fb33541961
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use command-line consistently where applicable and drop "line" where not
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2024-12-27 04:03:41 -05:00 |
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de0baba124
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add updates/corrections, improve formatting
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2024-12-27 03:50:51 -05:00 |
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