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2d5f02a398
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add lammps_add_molecule API to the C-library interface and python/fortran module
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2025-06-14 12:46:36 -04:00 |
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df08818fef
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refactor handling of plugin loading to make plugin a global property
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2025-06-11 02:52:28 -04:00 |
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1fc8e05642
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roll back changes switching from MPI::MPI_CXX to MPI::MPI_C
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2025-06-02 15:48:40 -04:00 |
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9abb171d05
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more CMake scripting updates to use C style MPI libraries not C++
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2025-05-15 02:49:02 -04:00 |
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d406289a7a
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propagate changes from library.cpp/library.h to swig and plugin interface
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2025-04-25 17:04:32 -04:00 |
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e0322b96ec
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sync new library interface function across all interfaced derived packages
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2025-03-24 04:33:27 -04:00 |
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557d279774
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remove references to SMALLSMALL from examples
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2025-03-14 16:31:09 -04:00 |
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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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0f6ee5c8a1
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improve error messages
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2025-01-28 12:01:59 -05:00 |
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23045d62c5
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add plugin wrapper and swig interface to new LAMMPS library functions
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2025-01-27 14:29:15 -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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3902215018
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add lammps_expand to plugin wrapper
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2024-09-20 03:56:19 -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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98b4771ed6
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sanity check
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2024-08-27 17:18:01 -04:00 |
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49d664583a
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correct define
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2024-08-27 17:00:42 -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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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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75a325751e
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implement support for lammps_map_atom() to plugin loader, Fortran module, swig
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2024-05-25 07:01:28 -04:00 |
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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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c1bf3f7d4e
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must step up ABI version for plugin loader
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2023-09-01 11:55:19 -04:00 |
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d864b4789f
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refactor variable info in Info class, make info accessible from library interface
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2023-08-25 23:55:42 -04:00 |
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149a820510
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sync prototype with library.h
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2023-08-25 15:11:46 -04:00 |
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ecb28e8e2e
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Merge branch 'develop' into cmake-3.16
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2023-08-04 04:26:30 -04:00 |
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2305c4cb30
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Merge branch 'develop' into cmake-3.16
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2023-08-03 17:39:15 -04:00 |
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4ed98083e0
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Merge branch 'develop' into always-exceptions
# Conflicts:
# src/library.cpp
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2023-08-03 16:50:50 -04:00 |
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32091d9f32
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fix typo in plugin interface API
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2023-07-27 08:21:17 -04:00 |
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378ef4b23e
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require CMake version 3.16
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2023-06-30 22:59:41 -04:00 |
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fc365d3d5f
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Merge branch 'develop' into always-exceptions
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2023-06-22 10:53:36 -04:00 |
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62b388b48f
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consolidate LAMMPS data type constants and enums and use the same names
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2023-06-10 19:23:11 -04:00 |
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ce38bb988d
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add lammps_last_thermo support to swig, plugin and fortran interface
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2023-06-08 19:12:59 -04:00 |
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baeed85468
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update CMake files
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2023-04-15 18:03:09 -04:00 |
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19dab05b45
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Update liblammpsplugin.c
|
2023-01-26 09:35:10 +02:00 |
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3714abec24
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Update liblammpsplugin.h
|
2023-01-26 09:34:01 +02:00 |
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27da716852
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getting out of the insurance business :-)
|
2023-01-23 16:45:41 -05:00 |
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aa2d2509d8
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plug memory leaks in coupling examples
|
2023-01-13 05:40:28 -05:00 |
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b03e9609ce
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synchronize API with library.h, zero struct on allocation, determine exception support at runtime.
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2023-01-13 05:30:49 -05:00 |
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59a9161435
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add bugfix for plugin wrapper of library interface from Stan
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2023-01-13 03:54:22 -05:00 |
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a68fca43e5
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make error message consistent with name of executable
|
2023-01-12 12:09:59 -05:00 |
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e9b4d2c55d
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fix windows support bug
|
2022-12-19 20:04:27 -05:00 |
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f9a004c752
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synchronize comments and update formatting
|
2022-11-01 06:29:58 -04:00 |
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d582d303ff
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make compatible with g++ -ansi
|
2022-10-31 16:15:28 -04:00 |
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6068e9df5a
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make fully compatible with gcc -ansi
|
2022-10-31 16:13:25 -04:00 |
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5d115fec90
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check that wrapper for lammps_open() was compiled with -DLAMMPS_LIB_MPI=1
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2022-10-31 16:12:56 -04:00 |
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3ae2f9966b
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work around warnings when compiling with C++ and gcc -pedantic
|
2022-10-31 16:12:02 -04:00 |
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5ed7df248c
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a real MPI library is required for the test example
|
2022-10-31 16:11:19 -04:00 |
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c157b2dea2
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add tests whether simple examples for coupling to the LAMMPS library can run
|
2022-10-29 03:46:52 -04:00 |
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83dcf24092
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update README
|
2022-10-28 21:14:24 -04:00 |
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00c80adf59
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add CMake build system
|
2022-10-28 21:14:14 -04:00 |
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82d77e7ae1
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update example
|
2022-10-28 21:14:01 -04:00 |
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38335a4d47
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update prototypes and struct entries for liblammpsplugin. port to windows.
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2022-10-28 21:13:17 -04:00 |
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