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d51017c878
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Set pending version tags to 2Apr2025
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2025-04-01 21:30:53 -04:00 |
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15cdba0bf0
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have Error::set_show_error() return the previous setting
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2025-03-24 04:13:24 -04:00 |
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9577343429
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use a global constant for a common string buffer size
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2025-03-23 22:21:05 -04:00 |
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2b718d3b86
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add interface to lammps_set_show_error()
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2025-03-23 22:20:34 -04:00 |
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89abf65751
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python: remove unused import in core.py
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2025-02-15 00:36:06 -07:00 |
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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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c10219da9e
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Merge pull request #4451 from akohlmey/next_release
Step version strings for next feature release
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2025-02-04 13:31:31 -05:00 |
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a01ac8c907
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use byref() instead of pointer() to pass pointers to ctypes objects to C
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2025-02-03 22:18:17 -05:00 |
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030ad0d5af
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set version string to 4Feb2025
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2025-01-30 17:22:28 -05:00 |
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48893236ec
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Merge pull request #4380 from rbberger/python_computes
Python and library API changes for computes
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2025-01-30 14:21:25 -05:00 |
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0fde98cfbc
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use POINTER() captitalization consistently
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2025-01-27 11:17:04 -05:00 |
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21bbd69b3c
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remove dead code
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2025-01-21 22:41:12 -05:00 |
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2c82ce8142
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library: update new function signatures to use void* instead of bigint
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2025-01-19 16:06:33 -07:00 |
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a50343077d
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Merge remote-tracking branch 'github/develop' into python_computes
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2025-01-14 00:53:19 -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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1d1320f648
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Merge remote-tracking branch 'origin/develop' into python_computes
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2025-01-13 10:51:33 -07:00 |
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83a73ba0b9
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library: add API for compute clearstep and addstep
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2025-01-13 10:51:19 -07:00 |
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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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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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24a4ff78b6
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python: update examples and docs
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2024-12-12 23:27:07 -07:00 |
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3905cfd0a6
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avoid memory leak
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2024-09-20 00:58:40 -04:00 |
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5e15eb6949
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add lammps_expand() method and make available in python
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2024-09-20 00:17:06 -04:00 |
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04ff7b4736
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add missing import
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2024-09-05 04:18:23 -04:00 |
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274f86b142
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Merge branch 'develop' into python-lint
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2024-09-05 04:03:06 -04:00 |
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0cdf8f2658
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swap rows/cols for less confusion
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2024-08-30 23:16:37 -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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fa373eb685
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update pending version tags with planned release date
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2024-08-25 16:39:13 -04:00 |
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3321477c7f
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misc doc fixes to python section
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2024-08-13 16:30:33 -06:00 |
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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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252c8483c3
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make LAMMPS python module compatible with mpi4py 4.x.x
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2024-08-01 03:45:45 -04:00 |
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732786d178
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use preferred comparison method
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2024-07-24 08:57:47 -04:00 |
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8d4a80729a
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don't overwrite string type argument variables with their encoded version
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2024-07-16 19:01:06 -04:00 |
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3b853adaac
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add lammps_extract_pair_dimension and lammps_extract_pair to library interface
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2024-07-16 01:38:21 -04:00 |
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19a8313578
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switch proc_grid to procgrid with backward compatibility for PyLammps
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2024-06-18 21:13:14 -04:00 |
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514039ed62
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library: add comm->procgrid to extract_global
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2024-06-14 08:10:24 -06:00 |
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fdbaf6feff
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spelling fix and update false positives
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2024-05-25 00:22:38 -04:00 |
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9f0816c3ba
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add support for lammps_map_atom() in python module
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2024-05-24 23:50:11 -04:00 |
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0ec86181f2
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add support for 'sametag' array
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2024-05-24 23:49:25 -04:00 |
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30704d095d
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support that cmdargs is used multiple times and may be bytearrays directly
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2024-05-20 16:00:19 -04:00 |
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38874c5aaa
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make more consistent
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2024-04-18 00:27:38 -04:00 |
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6683976ce0
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use explicit imports instead of wildcards
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2024-04-17 04:45:16 -04:00 |
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2dd9560439
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add notes to python versions of lammps_extract_fix() that for global data one can only retrieve scalars
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2024-03-19 22:39:05 -04:00 |
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1eeb7ab19e
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update version tags for feature release
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2024-02-07 05:03:20 -05:00 |
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c7a3571974
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add library interface to Variable::internal_set()
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2024-01-24 03:59:29 -05:00 |
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eff65ad3f3
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bugfix: correctly build argv when using Python interface
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2023-11-09 20:29:14 -07:00 |
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0e7d91b611
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add missing documentation
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2023-06-10 07:45:52 -06:00 |
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fe45b766c3
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pylammps: make use of lammps_last_thermo
this now avoids parsing LAMMPS output to extract thermo data, but instead uses
the new lammps_last_thermo library function
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2023-06-09 17:40:06 -06:00 |
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81854cd03e
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change type keyword to return a pointer to static location for better portability
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2023-06-08 14:55:45 -04:00 |
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b093f1aac1
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move versionadded tags to the top, replace some missed TBD with version info
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2023-06-08 13:11:19 -04:00 |
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3f6032e80d
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add python module interface to lammps_last_thermo, small consistency fixes
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2023-06-08 13:05:37 -04:00 |
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