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76fbece9ee
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clarification
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2024-08-09 09:27:02 -04:00 |
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28dc58a389
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add 2NN MEAM potential files for High-Entropy Alloys
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2024-08-08 21:56:58 -04:00 |
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800335fe2f
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whitespace
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2024-08-08 21:47:47 -04:00 |
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9ce75ac45a
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remove menu entry to open web tutorial
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2024-08-08 21:40:39 -04:00 |
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2edc8dc1ac
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do not copy internal "noinit" keyword to clipboard
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2024-08-08 21:40:20 -04:00 |
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751d7f0197
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improve error handling and reporting for MEAM user parameter file
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2024-08-08 21:27:44 -04:00 |
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54dc7776f2
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small grammar tweak
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2024-08-08 21:27:06 -04:00 |
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7f2267041e
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make smaller
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2024-08-08 15:30:28 -04:00 |
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23fb11736a
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rewrite
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2024-08-08 15:30:20 -04:00 |
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bd0574c11d
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2024-08-08 13:43:25 -04:00 |
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62665dd079
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Merge pull request #4266 from akohlmey/geturl-command
New geturl command to download files for LAMMPS inputs on demand
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2024-08-08 13:42:21 -04:00 |
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4ad7740676
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fix up cut-n-paste error
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2024-08-08 11:41:54 -04:00 |
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dbf9c75509
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some more atom info in "info system"
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2024-08-08 11:22:02 -04:00 |
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eac7c6a8ed
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rephrase
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2024-08-08 11:12:30 -04:00 |
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6f3056511b
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follow common convention for manual pages documenting multiple styles
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2024-08-08 05:00:01 -04:00 |
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45e90ac2f8
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must not access thermo class, if not yet created
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2024-08-08 04:37:59 -04:00 |
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b9e7c9534b
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switch branch
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2024-08-07 22:47:25 -04:00 |
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da26b69d8d
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partial implementation of wizards to start tutorials
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2024-08-07 22:44:10 -04:00 |
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03bc0768cd
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try to free resources allocated by inspecting restart files
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2024-08-07 17:30:55 -04:00 |
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6bc0cae2d4
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fix up fix colvars docs
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2024-08-07 16:07:58 -04:00 |
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6544861bd3
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document large restart file warning
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2024-08-07 16:01:02 -04:00 |
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323ecdd891
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add confirmation dialog with warning when trying to inspect a large restart
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2024-08-07 15:57:42 -04:00 |
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7f8bcbd93a
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document "verbose" keyword to "geturl"
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2024-08-07 14:01:23 -04:00 |
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69294ef343
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add "verbose" option for debugging which will divert libcurl logging to the screen
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2024-08-07 13:08:35 -04:00 |
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af68051981
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switch libcur to verbose output
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2024-08-07 12:41:32 -04:00 |
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c8ba358f67
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more debugging github runner for macos
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2024-08-07 12:20:35 -04:00 |
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cdab8d09ad
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need to update LAMMPS help message, too
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2024-08-07 12:12:45 -04:00 |
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a8bb296a17
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switch to verbose mode to debug GitHub runner.
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2024-08-07 11:15:13 -04:00 |
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c47a32206b
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add versionadded tags
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2024-08-07 10:47:58 -04:00 |
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f197ce3165
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expose new introspection to library interfaces for consistency
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2024-08-07 10:37:20 -04:00 |
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937c17f3b8
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add tests for geturl command
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2024-08-07 10:27:48 -04:00 |
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85f322e4f2
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add introspection support for -DLAMMPS_CURL
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2024-08-07 10:27:19 -04:00 |
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fe9c9cc77d
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fix highlighting bug and add geturl
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2024-08-07 09:38:10 -04:00 |
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dcb3871e58
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doc integration of gerurl
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2024-08-07 09:37:49 -04:00 |
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3fa48dfa34
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build system integration of geturl
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2024-08-07 09:37:33 -04:00 |
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b645a0c4b1
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new command geturl
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2024-08-07 09:37:09 -04:00 |
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530d6b5869
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2024-08-06 18:39:36 -04:00 |
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b25cb2adff
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Merge pull request #4261 from Colvars/colvars-update
Colvars update
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2024-08-06 18:01:35 -04:00 |
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b7bb8083ed
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implement -restart2info command line flag and document it
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2024-08-06 17:14:46 -04:00 |
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40b2b08f23
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avoid uninitialized access and get a "clean" core dump if the wrong pointer is used.
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2024-08-06 16:08:41 -04:00 |
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4818aec25b
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cosmetic
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2024-08-06 15:50:50 -04:00 |
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2344b7bcc3
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enable and apply clang-format
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2024-08-06 15:34:16 -04:00 |
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ce3b3b2950
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remove dead code
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2024-08-06 15:30:57 -04:00 |
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8194a9fd2f
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do not confuse static code analysis
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2024-08-06 15:22:29 -04:00 |
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19b7d3eac6
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mention LAMMPS-GUI as visualizer option and tool to general dump image commands
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2024-08-06 11:16:20 -04:00 |
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8118d8e829
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Merge pull request #2 from akohlmey/colvars-update
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2024-08-06 15:05:06 +02:00 |
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5f86046a92
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document "Inspect Restart" feature
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2024-08-06 06:36:54 -04:00 |
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69ac247088
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generate data file from restart with "pair ij" flag
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2024-08-06 06:18:20 -04:00 |
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543ceaaf89
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when using "write_data" with "noinit" and "pair ij" generate missing pair coeffs by calling Pair::init_one()
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2024-08-06 06:17:44 -04:00 |
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494660700a
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reduce default size of image viewer
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2024-08-06 00:59:23 -04:00 |
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