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db4e69bf38
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further simplification by making STUBS an interface and alias to MPI::MPI_CXX
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2022-01-28 01:00:37 -05:00 |
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e22f62f6db
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add some metadata for fix gle matrix files
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2022-01-18 19:55:30 -05:00 |
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ef13455d6b
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add some metadata tags
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2022-01-18 16:48:07 -05:00 |
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33aea05080
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adjust example for changes in when reset_timestep may be used
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2021-12-12 10:01:52 -05:00 |
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abd3df0c5a
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Merge pull request #3040 from akohlmey/collected-small-changes
Collected small changes and bugfixes
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2021-12-10 15:51:13 -05:00 |
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6140503158
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update local/density examples to follow conventions more closely
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2021-12-10 08:50:58 -05:00 |
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3fc0ea3e80
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correct names of the pack/unpack routines for forward communication
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2021-12-09 18:30:54 -05:00 |
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a975d0506a
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update examples for pair style local/density
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2021-12-09 18:21:32 -05:00 |
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3d3b153b35
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add proper symlink
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2021-12-06 13:45:04 -05:00 |
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e36029293a
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update documentation and examples
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2021-12-04 17:38:29 +02:00 |
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1dd4a67771
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add keyword for userdefined maxdelcs
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2021-12-03 17:32:08 +02:00 |
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7651be3e02
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add force style test
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2021-12-02 12:20:33 -05:00 |
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ecd51ba4fe
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remove obsolete/redundant files
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2021-12-02 12:20:10 -05:00 |
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30d3b2c209
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merge rst files and add omp style
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2021-12-02 15:46:00 +02:00 |
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3bc36070a9
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fix the invoking issue
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2021-12-01 04:56:46 +02:00 |
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8556b71949
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derived class of sw
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2021-11-30 10:14:20 +02:00 |
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597054edf3
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A modification to SW potential
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2021-11-29 16:08:32 +02:00 |
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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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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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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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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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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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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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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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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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