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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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6479116419
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Merge branch 'develop' into multi-config-support
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2021-11-02 16:39:12 -04:00 |
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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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591af3f560
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Eliminated obvious but hard to find error in neighbor list request
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2021-10-29 07:49:15 -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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6d5506353b
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Eliminated a few mistakes,s till not working
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2021-10-24 15:45:24 -06:00 |
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a796d6b824
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fix logic bug
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2021-10-21 21:04:15 -04:00 |
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7d16078cf4
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always use .so suffix for plugins
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2021-10-21 19:35:48 -04:00 |
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3869e3fce8
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adjust for compiling on windows
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2021-10-21 19:27:59 -04:00 |
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d8db9dd3ac
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Merge branch 'develop' into multi-config-support
# Conflicts:
# cmake/Modules/GTest.cmake
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2021-10-21 10:26:31 -04:00 |
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657fcfa30d
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added support for dihedral (torsion) calcs
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2021-10-19 17:29:53 -06:00 |
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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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510987dc80
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Merge branch 'master' into multi-config-support
# Conflicts:
# cmake/Modules/Packages/MSCG.cmake
# examples/plugins/CMakeLists.txt
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2021-10-11 17:03:41 -04:00 |
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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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f41d650294
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Added non-working pair script
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2021-10-03 17:59:33 -06:00 |
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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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7eba439388
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add special_bonds command to water examples
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2021-09-27 14:29:11 -06:00 |
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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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fe64649e49
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Merge branch 'master' into multi-config-support
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2021-09-20 20:42:03 -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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30558c0cd6
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convert plugin compilation to also use add_subdirectory() instead of external project
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2021-09-11 07:01:48 -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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c0b31c4384
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remove unneeded file
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2021-08-26 15:10:10 -06:00 |
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9f46071226
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fix example problems
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2021-08-26 15:09:27 -06:00 |
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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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0a4e85a1f3
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Added README.grid
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2021-08-26 11:58:39 -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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ea3c89165a
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Resolved memory management issue exposed by RCB in in.grid.test
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2021-08-26 11:52:06 -06:00 |
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78f9c7b478
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Declared victory on compute grid and grid/local
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2021-08-25 17:52:53 -06:00 |
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