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a4449fb6ff
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modified doc page, added examples
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2024-05-06 16:44:45 -06:00 |
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81ce8ecdd0
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tweak README
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2024-04-08 17:30:18 -06:00 |
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f1c2a22e2d
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more tweaks
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2024-04-08 16:25:17 -06:00 |
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d615d8053b
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support for general tri edge vectors in thermo output
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2024-04-05 14:31:53 -06:00 |
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9b7bd71ab6
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remove MSCG package from LAMMPS distribution
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2023-07-16 21:04:58 -04:00 |
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44fc1c55f6
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Merge branch 'develop' into remove-fix-latte
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2023-03-29 14:43:45 -06:00 |
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ea73ddcb59
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remove all files and dirs relevant to the fix latte command
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2023-02-24 16:13:50 -07:00 |
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2cd32d7e76
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clean up
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2023-02-08 12:54:34 -07:00 |
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e7bcdc63e5
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add instructions for running 2-water QMMM PySCF problem
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2023-01-31 07:43:20 -07:00 |
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1ba9ff7817
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add new grid-based examples
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2022-12-01 15:51:17 -07:00 |
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5904fa954e
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new examples/QM/LATTE dir with examples
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2022-07-27 13:17:18 -06:00 |
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97fab45f7e
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Merge branch 'develop' into amoeba-ak
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2022-05-28 05:24:02 -04:00 |
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1660bae22a
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add examples import one image to manual
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2022-05-08 21:15:32 -04:00 |
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929734ce45
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Merge remote-tracking branch 'github/develop' into amoeba-ak
# Conflicts:
# doc/src/Commands_pair.rst
# src/memory.h
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2022-04-28 20:08:18 -04:00 |
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5fd2311951
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Pulled develop. Solved false_positives.txt bond.cpp and bond.h files conflict.
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2022-04-22 00:24:50 +02:00 |
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f8f2b9542e
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sync with current develop
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2022-04-18 17:29:23 -06:00 |
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674d2a6788
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Merge branch 'develop' into remove-message-package
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2022-04-09 00:25:11 -04:00 |
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093667799d
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Merge branch 'develop' into mdi-expand
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2022-04-08 20:58:53 -04:00 |
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792ae5dae5
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remove src/MESSAGE package and supporting dirs and doc pages
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2022-04-07 15:44:48 -06:00 |
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0e8e1171c6
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add unit test for yaml style thermo output and updated logfile class
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2022-04-07 02:07:05 -04:00 |
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1a04eabb5e
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merge in current develop
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2022-03-11 10:01:25 -07:00 |
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8ba4e7e897
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tweaks to src files, added examples dir
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2022-03-11 09:33:34 -07:00 |
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f1f2cebf98
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Rearranged the directory tree for ELASTIC_T and BORN_MATRIX
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2022-02-19 17:59:27 -07:00 |
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c8ae3c45ac
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Removed cij_nvt directory and updated RADME
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2022-02-19 17:09:39 -07:00 |
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a9481733a0
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Finished debugging, testing, documenting
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2022-01-28 18:34:30 -07:00 |
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81a5beb8cc
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must not have folders names differing only in case: "MC" versu "mc"
This is causing problems on MacOS and Windows with case preserving
but case insensitive file systems.
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2021-10-18 18:13:21 -04:00 |
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f206eab338
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mv examples/gcmc to mc, add 2 scripts for fix mol/swap
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2021-10-13 15:02:33 -06:00 |
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7b3e7d3d3a
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allow for command-line setting of initial temp
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2021-08-26 11:52:07 -06:00 |
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b2b807f9b9
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initial version of AMOEBA/HIPPO force field files
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2021-08-25 13:53:31 -06:00 |
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f192102da9
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move examples away from USER-MISC now that the package folder is gone
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2021-07-24 20:53:23 -04:00 |
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f8f4af471f
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general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff"
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2021-07-21 21:52:25 -04:00 |
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9d208c9ebd
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rename some examples folders
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2021-06-29 20:25:18 -04:00 |
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4342987043
|
rename example folders
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2021-06-29 11:23:47 -04:00 |
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63ecb77303
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fix some more URLs
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2021-05-24 15:38:27 -04:00 |
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7bff94910f
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Created new set of tests for Tersoff variants
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2021-01-13 17:05:26 -07:00 |
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d64bbb99bf
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add examples for demonstrating the use of atom style template
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2020-10-26 23:10:45 -04:00 |
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2ed11f55d6
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fix URLs to documentation files
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2020-10-21 11:12:13 -04:00 |
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4d4ae93ef8
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add missing group names in fix widom. refactor group definition in fix widom and gcmc
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2020-07-17 21:27:58 -04:00 |
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bdb4cc561c
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add update README files
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2020-06-26 11:11:59 -04:00 |
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8b0e5c66ea
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tweak the docs for the new fix numdiff command
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2020-03-20 07:23:01 -06:00 |
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ceeae57172
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enhanced stochastic wall example
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2020-01-14 13:20:35 -07:00 |
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587fc9d962
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Merge pull request #1828 from lammps/post-patch-tweaks
minor omissions in recent patch release
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2020-01-11 21:00:09 -05:00 |
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6e3559a6e7
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added rerun example dir
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2020-01-10 14:09:38 -07:00 |
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664227ff11
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one more tweak
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2020-01-09 17:41:02 -07:00 |
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d1222bd3c0
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minor omissions in recent patch release
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2020-01-09 17:38:50 -07:00 |
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945f903683
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added an examples/UNITS dir
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2019-10-08 18:02:21 -06:00 |
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415698d570
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update examples/README
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2019-09-19 13:53:54 -04:00 |
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790d7d9fae
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Added log files and updated README
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2019-09-13 15:59:25 -06:00 |
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0349e9fee9
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update/correct list of example folders
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2019-05-20 15:08:33 -04:00 |
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d7a479d2f6
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hyper example dir
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2018-11-12 12:32:52 -07:00 |
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