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455cb09cf4
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Adding compatability with MC fixes, set_array to property/atom, faster update/special/bonds, single methods, and misc small changes
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2021-12-08 16:47:42 -07:00 |
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40258f8b9a
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Adding Steve's edits in documenation + associated changes in files
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2021-12-03 16:12:31 -07:00 |
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acb1c8e7f2
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Moving update/special/bonds into bond style to ensure correct fix ordering
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2021-11-07 17:55:53 -07:00 |
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d7f7835069
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Fix merge conflicts, minor style fixes
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2021-11-01 18:13:06 -06:00 |
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440a517a5e
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update fix rigid + property/atom example to avoid runtime failure
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2021-10-28 17:01:12 -04:00 |
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3d9e4638a7
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Don't use -restrict for icpx
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2021-10-26 13:08:03 -04:00 |
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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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a1fb6902d5
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Merge pull request #2992 from lammps/molswap
Add a new fix mol/swap command
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2021-10-13 21:33:52 -04:00 |
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660bced187
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whitespace, pointer initializer, and permission fixes
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2021-10-13 19:17:42 -04:00 |
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c8dc6c5010
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whitespace
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2021-10-13 18:25:13 -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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74219585f3
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Update log files
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2021-10-13 14:03:50 -06:00 |
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727a028a6f
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Add inputs with field
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2021-10-13 13:08:08 -06:00 |
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1f4c50037b
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Merge branch 'master' into acks2_release
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2021-10-11 16:13:20 -04:00 |
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4fca127ea4
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copy MSVC++ compiler hacks to plugin CMakeLists.txt file
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2021-10-07 15:59:12 -04:00 |
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4aae11f8fb
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port plugin loader to platform namespace
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2021-10-06 08:59:56 -04:00 |
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7801d112b3
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enable building plugins for windows
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2021-10-06 07:10:35 -04:00 |
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359aa1d805
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Merge branch 'master' into acks2_release
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2021-09-30 00:26:25 -04:00 |
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4d9cef823d
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must use a soft core potential to avoid a singularity
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2021-09-24 16:22:44 -04:00 |
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0f2bebdb9b
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Adding bpm/spring pairstyle, misc small edits
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2021-09-24 10:45:46 -06:00 |
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9063466c03
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move ACKS2 force field file to potentials folder and add LAMMPS-style metadata
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2021-09-21 14:37:37 -04:00 |
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18f0d2e1b5
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Adding spring bondstyle
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2021-09-20 18:06:10 -06:00 |
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d79b1b3145
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Tweak example and add reference logs
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2021-09-20 13:01:57 -06:00 |
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9feab449fb
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Add ACKS2 example
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2021-09-20 12:23:19 -06:00 |
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b4acacf5cb
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add minimal example and a unit test input
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2021-09-14 16:40:42 -04:00 |
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585f35235e
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add note to README files about age of the example
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2021-09-11 13:31:55 -04:00 |
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8cef98fae7
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update example to use current library interface. No need to use the namespace.
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2021-09-11 13:31:55 -04:00 |
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bd225e2484
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update example for dynamically loading LAMMPS with current library API
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2021-09-11 13:31:55 -04:00 |
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f9a972220e
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Fixing data compression in history, small update to model
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2021-09-09 09:00:21 -06:00 |
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0e72aae0a3
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Adding examples and misc bug fixes
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2021-09-08 18:39:56 -06:00 |
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90d95466c2
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add UNITS: metadata
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2021-08-27 23:21:04 -04:00 |
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16d73c86ba
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adjust example TTM input scripts
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2021-08-26 13:37:00 -06:00 |
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62fcaedd33
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update example log files
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2021-08-26 13:25:46 -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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661ec1acc3
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fix typo
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2021-08-17 21:55:22 -04:00 |
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01503535f4
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remove unused symlinks
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2021-08-17 10:48:09 -04:00 |
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75214f1eeb
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Merge pull request #2857 from akohlmey/update-formatted-output
Modernize formatted output and string handling in packages
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2021-07-30 12:50:25 -04:00 |
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c49a533ad9
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reformat, simplify, add reference log files
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2021-07-29 15:40:43 -04:00 |
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dcff3d70e0
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simplify fix instance creation
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2021-07-29 15:18:58 -04:00 |
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b9ab0eb607
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fix broken symbolic links
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2021-07-28 21:32:52 -04:00 |
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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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d2684a2370
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Merge branch 'master' into package-reorganization2
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2021-07-23 07:41:10 -04:00 |
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c78d4eab36
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update standard examples for new style names
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2021-07-21 22:52:43 -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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d16f751413
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Merge branch 'master' into package-reorganization2
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2021-07-21 10:23:04 -04:00 |
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cf3bf374fa
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Merge branch 'master' into refactor-reaxff-parser
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2021-07-21 00:30:53 -04:00 |
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6604508b55
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Merge branch 'master' into collected-small-changes
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2021-07-20 19:39:10 -04:00 |
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96389213ab
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Merge pull request #2788 from jtclemm/track-contacts
Track properties of pair interactions
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2021-07-20 19:38:21 -04:00 |
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8a4820a033
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add data/units comments to example quip potential files
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2021-07-20 19:31:52 -04:00 |
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63794aa698
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Merge branch 'master' into track-contacts
# Conflicts:
# doc/src/Packages_details.rst
# src/DIELECTRIC/pair_coul_cut_dielectric.h
# src/MISC/fix_pair_tracker.cpp
# src/MISC/fix_pair_tracker.h
# src/MISC/pair_tracker.cpp
# src/MISC/pair_tracker.h
# src/pair_tracker.h
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2021-07-20 16:19:38 -04:00 |
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