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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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dedbd8f6db
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improvements from clang-tidy
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2023-12-21 14:25:31 -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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af3d971023
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allow longer argument strings to avoid failues with unit tests
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2023-06-19 18:49:43 -04:00 |
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753a0bd386
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remove obsolete Fortran interfaces from examples/COUPLE folder
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2023-06-17 18:31:11 -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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e1df51969d
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Merge branch 'develop' into always-exceptions
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2023-04-25 09:08:21 -04:00 |
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2cf690cc99
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fix typo
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2023-04-19 13:28:02 -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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82e17c8aec
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add image outputs to both couple codes
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2023-04-14 12:11:09 -06:00 |
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32f9800943
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testing new version of coupling
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2023-04-14 11:00:59 -06:00 |
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7f35ecffcc
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more edits
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2023-04-13 12:55:38 -06:00 |
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b3c00f3edf
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modernize a couple examples/COUPLE apps
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2023-04-12 15:59:12 -06:00 |
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19dab05b45
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Update liblammpsplugin.c
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2023-01-26 09:35:10 +02:00 |
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3714abec24
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Update liblammpsplugin.h
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2023-01-26 09:34:01 +02:00 |
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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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8e138161af
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add more thorough checks on Fortran and MPI support for Fortran.
also works around issue with GNU Fortran 12 and later
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2023-01-13 11:02:24 -05:00 |
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a1f5d8420a
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compile test for coupling to the LAMMPS library via fortran, check if it runs
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2023-01-13 06:26:06 -05:00 |
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aa2d2509d8
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plug memory leaks in coupling examples
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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
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2023-01-12 12:09:59 -05:00 |
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8a2257f568
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remove the obsolete legacy fortran 77 wrapper. update Fortran section of manual.
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2022-12-23 06:56:07 -05:00 |
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885108e95b
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Merge branch 'lammps:develop' into fortran2_updates
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2022-12-22 20:31:05 -06:00 |
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e9b4d2c55d
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fix windows support bug
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2022-12-19 20:04:27 -05:00 |
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17a921f8e5
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Added obsolescence warning to Makefile
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2022-12-04 18:54:27 -06:00 |
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e20235b7e5
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Added text to README and LAMMPS.F90 making examples/COUPLE/fortran2 obsolete
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2022-12-04 18:34:22 -06:00 |
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f9a004c752
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synchronize comments and update formatting
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2022-11-01 06:29:58 -04:00 |
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d582d303ff
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make compatible with g++ -ansi
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2022-10-31 16:15:28 -04:00 |
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6068e9df5a
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make fully compatible with gcc -ansi
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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
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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
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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
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2022-10-29 03:46:52 -04:00 |
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83dcf24092
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update README
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2022-10-28 21:14:24 -04:00 |
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00c80adf59
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add CMake build system
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2022-10-28 21:14:14 -04:00 |
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82d77e7ae1
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update example
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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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3c4b0a0c04
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expand homepage checker tool to check a few more folders and apply updates
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2022-10-24 10:58:39 -04:00 |
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92f5c5efa1
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check and convert a few more folders and files
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2022-10-20 21:04:07 -04:00 |
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15261aaa71
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Fixed a bug (xz and yz reversed) in LAMMPS.F90 and changed mpif90 to mpifort in README for files in examples/COUPLE/fortran2
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2022-08-10 11:11:27 -05:00 |
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