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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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d487d8af37
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Update in.flat_membrane
shape updated to 1 0.99 0.99
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2022-10-26 05:01:17 -04:00 |
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34d70dd753
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Merge branch 'develop' into new-pair_style-ylz
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2022-10-24 18:27:24 -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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38c24b68ad
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update examples to match others
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2022-10-18 14:48:37 -04:00 |
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39020379da
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fix permissions, error docs, URLs, whitespace
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2022-10-18 11:53:38 -04:00 |
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72e859acf8
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New pair-style ylz added to ASPHERE package
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2022-10-14 18:52:34 +08:00 |
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0b17654bee
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New pair-style ylz added to ASPHERE package
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2022-10-13 13:45:09 +08:00 |
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a38054cf32
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change area_per_patch to area/patch
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2022-10-10 16:03:09 -05:00 |
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ba45678528
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DIELECTRIC package doc and example updates
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2022-10-10 11:04:04 -05:00 |
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b3fa2b7c4f
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update of DIELECTRIC package documentation and examples
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2022-10-10 11:03:52 -05:00 |
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be98b5a168
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Merge pull request #3458 from Boogie3D/mliappy_unified
MLIAP Unified Interface
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2022-09-26 20:33:17 -04:00 |
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1dc3c8fc26
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remove hippynn examples
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2022-09-26 19:56:00 -04:00 |
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30ddb2d4b4
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Merge branch 'clean-master2' of github.com:julient31/lammps into llg-correction
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2022-09-26 07:53:09 +02:00 |
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e24b4bec01
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Adding a new test problem for large damping in the LL equation.
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2022-09-26 07:49:51 +02:00 |
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0ed0d757ec
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refactor unified LJ example input to embed the python code into the input
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2022-09-24 21:08:43 -04:00 |
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46820a90c5
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modernize and improve error message handling
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2022-09-24 04:12:54 -04:00 |
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f1756eeeee
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update unified LJ Ar example to include creating the pickle in the input
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2022-09-24 03:33:19 -04:00 |
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a3326841ad
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Add MLIAP NumPy Ta06A example
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2022-09-23 17:01:59 -06:00 |
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9eee1bbb5f
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Fix MLIAP Unified LJ example logs
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2022-09-23 16:04:15 -06:00 |
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43aabc7985
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Update comments and documentation
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2022-09-22 18:29:45 -06:00 |
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b4bc780c76
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Merge branch 'lammps:develop' into mliappy_unified
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2022-09-22 02:14:54 -06:00 |
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43998570d1
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Remove optional toggle from pair style commands
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2022-09-16 14:10:58 -06:00 |
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1655aba5f3
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Add masses back and change pickle paths
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2022-09-16 14:08:19 -06:00 |
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35c4b791f8
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Add MLIAP Unified LJ example logs
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2022-09-16 02:53:42 -06:00 |
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211d5c468e
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fixing merge conflicts
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2022-09-15 14:49:21 -06:00 |
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e89899955b
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Merge branch 'lammps:develop' into mliappy_unified
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2022-09-15 03:01:03 -06:00 |
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f3fa246179
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update LATTE package examples
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2022-09-13 11:39:16 -04:00 |
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44b8eee180
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updated README file from @sjplimp
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2022-09-12 16:19:34 -04:00 |
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3d7a31a59f
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Merge branch 'lammps:develop' into mliappy_unified
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2022-09-09 14:03:43 -06:00 |
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44a137b85c
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Merge pull request #3366 from lammps/mdi-tweak
MDI support for LAMMPS + LATTE (tight-binding code)
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2022-09-09 15:59:04 -04:00 |
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ffb8b8ba97
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Merge branch 'develop' into mdi-tweak
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2022-09-09 00:03:39 -04:00 |
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d434031200
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Merge branch 'develop' into dielectric-force-tests
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2022-09-08 16:21:27 -04:00 |
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0c7887f4db
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add check for triclinic box compatibility
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2022-09-08 13:06:09 -06:00 |
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d9785af63f
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archive example results
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2022-09-08 11:24:28 -06:00 |
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4938bc6c70
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change LATTE howto README
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2022-09-07 14:28:16 -06:00 |
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1d0db98403
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Fixing merge conflicts
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2022-09-03 12:35:32 -06:00 |
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a17e3e2350
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Add init parameters to Unified LJ example
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2022-09-01 02:43:16 -06:00 |
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44f97c916e
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Change ghostneigh pairstyle to toggle
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2022-09-01 02:42:35 -06:00 |
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7867c5b3d3
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Remove pickle file
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2022-09-01 02:42:06 -06:00 |
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fa6a5068e7
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edit README for now
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2022-08-31 16:55:28 -06:00 |
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2bded3da5e
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repeatable example
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2022-08-31 12:42:47 +01:00 |
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8a06ba415b
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update MDI version for CMake
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2022-08-30 15:33:53 -06:00 |
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