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e613da98d6
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Merge pull request #2650 from akohlmey/plugin-loader
New PLUGIN package with a LAMMPS plugin loader command
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2021-04-02 15:08:44 -04:00 |
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c9652f3aa6
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update documentation for the extract_global() method of the lammps.lammps class
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2021-04-01 09:31:54 -04:00 |
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a193d9d429
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fix several issues when using extract_global() from python exposed by tests
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2021-03-25 20:34:25 -04:00 |
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b8f02d759a
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add support for extracting respa levels and timestep values
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2021-03-25 20:34:25 -04:00 |
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e0fdd2ad89
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correct lammps.extract_global() method for returned arrays which are returned as list
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2021-03-25 20:34:24 -04:00 |
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64ba2f4ee2
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Add missing checks for C++ exceptions
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2021-03-18 14:26:18 -04:00 |
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28e986c266
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add python module support for plugins
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2021-03-16 23:25:46 -04:00 |
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76ef7a9081
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safer detection and load of lammps shared library
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2021-02-27 15:50:58 -05:00 |
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742eebec2d
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support checking the size of MPI communicators and fail if LAMMPS and mpi4py have a mismatch
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2021-02-16 20:22:18 -05:00 |
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f929e57261
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avoid loading mpi4py if the LAMMPS executable has been built without MPI
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2021-02-16 14:38:03 -05:00 |
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d256614c9f
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Fix docs after PR #2592
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2021-02-15 13:19:25 -05:00 |
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fff1c0c9a7
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rename numpy.py to numpy_wrapper.py to avoid lookup conflicts with python2.7
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2021-02-09 20:56:33 -05:00 |
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b53b993c68
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recover in-place usage by defaulting to version 0 and changing it back after installation
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2021-02-09 02:12:37 -05:00 |
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7826b58f73
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add check to lammps python module to check consistent versions between module and shared library
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2021-02-09 00:38:17 -05:00 |
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0e2b528351
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add additional heuristics to prevent python unit tests from failing on MacOS
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2021-01-29 18:40:24 -05:00 |
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1cdce9233e
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identify offloading to Xeon Phi accelerator coprocessors
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2021-01-16 01:07:44 -05:00 |
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a647c236d0
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make categories contain lists instead of strings as we may have multiple supported settings
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2021-01-16 00:56:27 -05:00 |
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a644375afa
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make code python2/3 compatible
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2021-01-16 00:23:44 -05:00 |
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22bf810b63
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recover current package names. this will become simpler once #2525 is implemented
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2021-01-12 20:23:57 -05:00 |
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3d3590f02d
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add c-library interface and export to python
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2021-01-12 20:10:47 -05:00 |
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de94e28c8b
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correct path to find liblammps.dll with Windows installer package
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2020-12-17 21:48:04 -05:00 |
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511a1a5395
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Update comments mentioning lammps.py
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2020-12-17 12:13:06 -05:00 |
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33f9a29639
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Split core.py into more files
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2020-12-15 16:33:21 -05:00 |
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b390c1e3d3
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Split lammps.py into core.py and pylammps.py
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2020-12-15 16:15:16 -05:00 |
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