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ccffe80b8d
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update MPI functionality for fitpod command
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2022-11-28 01:09:36 -05:00 |
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234725a9fb
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Update MPI functionality for quadratic POD
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2022-11-27 22:22:52 -05:00 |
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ee5b021c57
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Update MLPOD's documentation and changed example folder name from pod to mlpod
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2022-11-27 11:14:21 -05:00 |
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e2d6bb0c31
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Merge branch 'develop' into pod-updates
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2022-11-22 18:32:20 -05:00 |
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e165607710
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Remove unnecessary functions and variables from pairstyle
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2022-11-22 08:45:43 -07:00 |
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5424344dc6
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Forward declare podptr in fitpod header
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2022-11-20 09:56:37 -07:00 |
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7d31793460
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Use mlpod instead of pod
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2022-11-20 09:42:05 -07:00 |
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143147e7b9
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Use lammps memory allocation everywhere
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2022-11-20 09:41:36 -07:00 |
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33356aebcf
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update pod.txt
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2022-11-20 11:40:33 -05:00 |
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50d3f88705
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Update fitpod command
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2022-11-19 22:05:54 -05:00 |
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4b71ceeb92
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Merge branch 'pod' of https://github.com/cesmix-mit/lammps into pod
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2022-11-19 21:09:12 -05:00 |
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a0879cf923
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pod fit
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2022-11-19 21:09:08 -05:00 |
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d8169b02ff
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Use lammps memory class in pair_pod
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2022-11-19 16:37:27 -07:00 |
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af36dc3df0
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Style changes, alphabetize headers, cleaner READMEs
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2022-11-08 09:25:26 -07:00 |
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a62defa8ad
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Merge branch 'pod' of https://github.com/cesmix-mit/lammps into pod
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2022-11-08 11:03:48 -05:00 |
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f18295bb51
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Ta example
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2022-11-08 11:02:44 -05:00 |
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da929b4f7f
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Fix merge conflicts
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2022-11-07 17:37:50 -07:00 |
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09bcb02145
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Clean up example
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2022-11-07 17:17:48 -07:00 |
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f8c90c2674
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Read coefficients with lammps utils
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2022-11-05 12:10:13 -06:00 |
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bd5ea1b896
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add MS-MPI support to ML-PACE plugin and demo plugins
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2022-11-04 23:32:40 -04:00 |
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076f55dbca
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Update Ta example
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2022-11-02 09:20:20 -04:00 |
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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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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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12e0681ec6
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simplify inputs and normalize quadratic potential
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2022-09-25 00:15:49 -04:00 |
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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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