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0d7e07b9be
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export bond topology related per-atom data via library interface
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2025-05-05 06:25:22 -04:00 |
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7878ec170c
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Merge pull request #4501 from lammps/errors-more-cleanup
[Community Project] More Error and Warning Messages Cleanup
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2025-03-25 17:52:08 -04:00 |
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9e241df062
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Merge pull request #4182 from akohlmey/group-bitmap-accessor
Refactor code to use group bitmap accessor
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2025-03-25 14:12:27 -04:00 |
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1b58a4695b
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add explanations for "before/after simulation box is defined" errors
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2025-03-21 20:30:47 -04:00 |
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816fb83d1a
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improve errors for atom_modify
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2025-02-18 00:40:41 -05:00 |
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eb1174b54b
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try to work around the ambiguity of 0 and null pointers
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2025-01-31 21:48:29 -05:00 |
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be1be668a2
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modernize error messages for processing molecule files
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2025-01-31 20:33:47 -05:00 |
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b1e881d4ff
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Merge branch 'develop' into group-bitmap-accessor
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2025-01-09 14:37:38 -05:00 |
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c50a8d83d1
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New release date 19 November 2024
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2024-11-19 02:13:54 -05:00 |
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2ac0d065a7
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step version strings for next release
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2024-11-19 02:05:49 -05:00 |
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1318e3590e
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Merge branch 'develop' into group-bitmap-accessor
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2024-09-06 17:10:27 -04:00 |
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7d176cb66e
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fix logic bug
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2024-08-31 07:04:53 -04:00 |
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70a62d5ebf
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make certain that the mass and mass_setflag arrays are fully initialized (to zero)
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2024-08-31 06:20:44 -04:00 |
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9a295d73b6
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Merge branch 'develop' into group-bitmap-accessor
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2024-08-31 00:07:46 -04:00 |
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9d9e591b54
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first try at implementing lammps_extract_atom_size()
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2024-08-30 22:50:42 -04:00 |
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e921af8efa
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fix bug where custom property dimension was not reported
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2024-08-30 10:40:58 -04:00 |
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9b46cd9a3a
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add error checks to verlet/split
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2024-08-21 15:23:27 -06:00 |
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dca156eacc
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Edits to devleoper doc files 2
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2024-08-15 17:12:39 -06:00 |
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25a4117e67
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Merge branch 'develop' into group-bitmap-accessor
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2024-07-24 00:08:55 -04:00 |
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a9a896c677
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Small doc changes, renaming status variable
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2024-07-15 17:19:51 -06:00 |
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66552d80da
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Merge branch 'develop' into rheo
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2024-07-03 03:42:44 -04:00 |
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5cbe85ecf1
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remove redundant error argument (accessible through lmp)
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2024-06-25 18:19:41 -04:00 |
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b219bb8de8
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Merge conflicts
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2024-06-24 14:09:33 -06:00 |
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7a3dd2231b
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Merge branch 'develop' into group-bitmap-accessor
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2024-06-21 14:31:55 -04:00 |
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a0939c4fcc
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use new bitmap accessor function and simplify code
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2024-06-01 17:57:31 -04:00 |
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85a2f4bbfa
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Merge branch 'lammps:develop' into improve_type_label_support
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2024-05-12 23:15:34 -04:00 |
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fc32826cd7
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more uses of bounds_typelabel
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2024-05-12 16:44:24 -04:00 |
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905ceb98f1
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merge in current develop
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2024-04-05 09:36:29 -06:00 |
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cd154abe73
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add "Incorrect format in ... section of data file" to Error_details and url
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2024-03-26 23:56:38 -04:00 |
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49dcefa83b
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add missing override keywords
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2024-02-06 19:36:35 -05:00 |
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dbdcfc5c97
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Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
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2024-02-06 19:21:50 -05:00 |
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ad855ad7ea
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remove unused constants
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2024-02-05 20:26:23 -05:00 |
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7905e5d146
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Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
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2024-01-29 21:05:21 -05:00 |
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c43b10f952
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Merge branch 'develop' into srtee_develop
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2024-01-29 17:37:54 -05:00 |
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4082ca077e
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Merge branch 'develop' into consolidate-sphere-omega-flag
# Conflicts:
# src/compute_temp_sphere.cpp
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2024-01-25 17:57:53 -05:00 |
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12422ff510
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replace defines with static constexpr declarations
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2024-01-21 15:53:35 -05:00 |
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0d8f549e33
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remove sphere_flag and replace with radius_flag and omega_flag as needed
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2024-01-19 12:50:31 -05:00 |
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affb879037
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Merge branch 'develop' into rheo
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2024-01-18 14:52:15 -07:00 |
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8cf2705d68
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Merge branch 'develop' into general-triclinic
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2024-01-18 15:01:09 -05:00 |
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87297902a3
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Add support for "Dipoles" section in molecule file
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2024-01-16 12:04:00 -05:00 |
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99e38ba55a
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fix whitespace
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2024-01-16 23:44:00 +10:00 |
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b95706ca64
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make separate find_custom_ghost() and use four separate ghost info arrays
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2024-01-16 23:35:40 +10:00 |
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073a72d933
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fixing merge conflicts
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2024-01-12 11:12:02 -07:00 |
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61ca9b79db
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add custom_border to Atom and AtomKokkos
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2023-12-15 11:48:46 +10:00 |
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45372937db
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loads of whitespace fixes
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2023-12-01 14:52:47 -05:00 |
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767b50e718
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Merge branch 'develop' into general-triclinic
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2023-12-01 14:13:05 -05:00 |
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dc32efe9be
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whitespace
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2023-11-23 16:19:43 -05:00 |
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961cbfbe10
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add custom atom property refs to variable syntax
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2023-11-22 22:40:58 -07:00 |
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9fae8a2c2d
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Merge branch 'develop' into general-triclinic
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2023-11-21 15:21:16 -07:00 |
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612a919e93
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more work on read_data and doc pages
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2023-11-06 16:56:33 -07:00 |
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