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afa8501d20
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recognize STL files starting with "solid binary" as binary files
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2023-09-22 07:51:58 -04:00 |
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12acd346b7
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plug memory leak
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2023-09-22 07:51:16 -04:00 |
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fb55fc3277
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we don't need a lattice for creating atoms from a STL mesh
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2023-09-22 07:51:07 -04:00 |
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27da716852
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getting out of the insurance business :-)
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2023-01-23 16:45:41 -05:00 |
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85ac3ac98b
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Also need to clear atom map
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2022-12-16 09:42:06 -07:00 |
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a3c0be875e
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include-what-you-use updates
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2022-12-11 22:46:54 -05:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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7e6bd892ed
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apply clang-format
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2022-09-10 03:29:32 -04:00 |
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f592e3184e
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simplify Molecule::check_attributes()
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2022-08-13 16:56:53 -04:00 |
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e94275391c
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Merge branch 'develop' into collected-small-changes
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2022-05-17 22:10:15 -04:00 |
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e7d072c593
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add sanity check on radscale value, set radius also for quasi-random mode
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2022-05-17 16:15:46 -04:00 |
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8e6b0425f7
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apply clang-format
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2022-05-14 18:01:34 -04:00 |
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55fef9a482
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Fixing typos and cleaning up quasirandom comments
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2022-05-14 11:39:20 -06:00 |
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c41ad91a9d
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add support for reading binary STL files
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2022-05-13 12:18:22 -04:00 |
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4cc3bdd35f
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adjust keyword/function names and command line to be simpler to use
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2022-05-11 09:25:27 -04:00 |
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c9d350edc2
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Adding quasirandom mesh option
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2022-05-10 18:35:36 -06:00 |
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e0bb27dbb2
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make radscale and radthresh class members
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2022-05-07 23:04:34 -04:00 |
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e9b1ca16a3
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correctly initialize radius and molecule id
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2022-05-07 21:24:08 -04:00 |
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60b9fd2db8
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minor tweaks simplify algorithm
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2022-05-07 17:08:22 -04:00 |
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bcfb6734f3
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use average vertex distance from center as particle radius
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2022-05-07 16:27:03 -04:00 |
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559dc68197
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implement revised algorithm with recursion
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2022-05-07 15:40:25 -04:00 |
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8079f014bc
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final tweaks
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2022-05-06 00:47:35 -04:00 |
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ff21142042
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Merge remote-tracking branch 'github/develop' into create-atoms-mesh
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2022-05-05 23:02:53 -04:00 |
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8dbfc0799c
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whitespace
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2022-05-05 20:15:36 -04:00 |
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46d638af0c
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Merge branch 'feature-create-atoms-exclude' of https://github.com/erozic/lammps into feature-create-atoms-exclude
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2022-05-06 01:48:37 +02:00 |
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ae230a33f5
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Bug fix (user_quat initial value not set)
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2022-05-06 01:47:45 +02:00 |
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484a7c5db0
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tweaked comments
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2022-05-05 16:22:19 -06:00 |
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93c0f09c31
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Logic fix in random-overlap and comment implemented
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2022-05-05 23:35:11 +02:00 |
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99d4f83fa8
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preliminary implementation
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2022-05-05 09:56:22 -04:00 |
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6b47d6246b
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more changes and some debugging on a test script
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2022-05-04 15:28:50 -06:00 |
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cc437c78a0
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some logic and syntax changes to code and doc page
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2022-05-04 14:34:05 -06:00 |
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517d934f7c
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more edits
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2022-05-04 10:51:00 -06:00 |
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72011bf325
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Updated doc (use of overlap clarified)
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2022-04-26 11:55:24 +02:00 |
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811e5786fe
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Merge branch 'develop' into feature-create-atoms-exclude
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2022-04-25 19:30:52 +02:00 |
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c1146ebdcd
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Resolved conflicts with develop
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2022-04-25 19:11:54 +02:00 |
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2624043ab6
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Synchronisation fix
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2022-04-25 17:03:07 +02:00 |
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69d9c5187e
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refactor group access, enable and apply clang-format
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2022-04-15 15:29:43 -04:00 |
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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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374a172246
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Changed "exclude" keyword to "overlap"
+ added new error description to header file
+ minor fix in the doc file
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2022-02-14 12:46:44 +01:00 |
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78cf0365e6
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bugfixes
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2022-02-08 02:13:42 +01:00 |
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b06d4a3300
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exclude_cutoff to exclude_radius
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2022-02-03 21:58:14 +01:00 |
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1da12feafc
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Prepared for implementation of exclude
- maxtries returned as separate option
- errors for incompatible options (var with single + new)
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2022-02-01 00:46:15 +01:00 |
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1b6f850d42
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Prepared for implementation
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2022-02-01 00:17:21 +01:00 |
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fc13c95c85
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tweaks and bugs
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2022-01-24 20:55:28 +01:00 |
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86ee1f5a1f
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updated create_atoms.h/cpp with accumulated changes
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2022-01-24 20:38:51 +01:00 |
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85433e8bd1
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use true/false instead of 1/0 detected and changed by clang-tidy
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2021-10-20 12:41:02 -04:00 |
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8b36061db4
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replace MPI_Wtime() with platform::walltime()
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2021-10-05 22:53:39 -04:00 |
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41a3eccd1c
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apply utils::logical() to more commands
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2021-09-21 07:48:50 -04:00 |
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94f83c172a
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simplify and modernize code a little
|
2021-09-15 23:15:14 -04:00 |
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