ca8dddf002
upgrade of lb/fluid fix
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This includes documentation files in the rst format in the doc/src directory, examples in the examples/PACKAGES/latboltz directory and source files in the src/LATBOLTZ directory.
2021-12-01 14:31:57 -05:00
6479116419
Merge branch 'develop' into multi-config-support
2021-11-02 16:39:12 -04:00
440a517a5e
update fix rigid + property/atom example to avoid runtime failure
2021-10-28 17:01:12 -04:00
3d9e4638a7
Don't use -restrict for icpx
2021-10-26 13:08:03 -04:00
a796d6b824
fix logic bug
2021-10-21 21:04:15 -04:00
7d16078cf4
always use .so suffix for plugins
2021-10-21 19:35:48 -04:00
3869e3fce8
adjust for compiling on windows
2021-10-21 19:27:59 -04:00
d8db9dd3ac
Merge branch 'develop' into multi-config-support
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# Conflicts:
# cmake/Modules/GTest.cmake
2021-10-21 10:26:31 -04:00
81a5beb8cc
must not have folders names differing only in case: "MC" versu "mc"
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This is causing problems on MacOS and Windows with case preserving
but case insensitive file systems.
2021-10-18 18:13:21 -04:00
a1fb6902d5
Merge pull request #2992 from lammps/molswap
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Add a new fix mol/swap command
2021-10-13 21:33:52 -04:00
660bced187
whitespace, pointer initializer, and permission fixes
2021-10-13 19:17:42 -04:00
c8dc6c5010
whitespace
2021-10-13 18:25:13 -04:00
f206eab338
mv examples/gcmc to mc, add 2 scripts for fix mol/swap
2021-10-13 15:02:33 -06:00
74219585f3
Update log files
2021-10-13 14:03:50 -06:00
727a028a6f
Add inputs with field
2021-10-13 13:08:08 -06:00
510987dc80
Merge branch 'master' into multi-config-support
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# Conflicts:
# cmake/Modules/Packages/MSCG.cmake
# examples/plugins/CMakeLists.txt
2021-10-11 17:03:41 -04:00
1f4c50037b
Merge branch 'master' into acks2_release
2021-10-11 16:13:20 -04:00
4fca127ea4
copy MSVC++ compiler hacks to plugin CMakeLists.txt file
2021-10-07 15:59:12 -04:00
4aae11f8fb
port plugin loader to platform namespace
2021-10-06 08:59:56 -04:00
7801d112b3
enable building plugins for windows
2021-10-06 07:10:35 -04:00
359aa1d805
Merge branch 'master' into acks2_release
2021-09-30 00:26:25 -04:00
4d9cef823d
must use a soft core potential to avoid a singularity
2021-09-24 16:22:44 -04:00
9063466c03
move ACKS2 force field file to potentials folder and add LAMMPS-style metadata
2021-09-21 14:37:37 -04:00
fe64649e49
Merge branch 'master' into multi-config-support
2021-09-20 20:42:03 -04:00
d79b1b3145
Tweak example and add reference logs
2021-09-20 13:01:57 -06:00
9feab449fb
Add ACKS2 example
2021-09-20 12:23:19 -06:00
b4acacf5cb
add minimal example and a unit test input
2021-09-14 16:40:42 -04:00
585f35235e
add note to README files about age of the example
2021-09-11 13:31:55 -04:00
8cef98fae7
update example to use current library interface. No need to use the namespace.
2021-09-11 13:31:55 -04:00
bd225e2484
update example for dynamically loading LAMMPS with current library API
2021-09-11 13:31:55 -04:00
30558c0cd6
convert plugin compilation to also use add_subdirectory() instead of external project
2021-09-11 07:01:48 -04:00
90d95466c2
add UNITS: metadata
2021-08-27 23:21:04 -04:00
16d73c86ba
adjust example TTM input scripts
2021-08-26 13:37:00 -06:00
62fcaedd33
update example log files
2021-08-26 13:25:46 -06:00
7b3e7d3d3a
allow for command-line setting of initial temp
2021-08-26 11:52:07 -06:00
661ec1acc3
fix typo
2021-08-17 21:55:22 -04:00
01503535f4
remove unused symlinks
2021-08-17 10:48:09 -04:00
75214f1eeb
Merge pull request #2857 from akohlmey/update-formatted-output
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Modernize formatted output and string handling in packages
2021-07-30 12:50:25 -04:00
c49a533ad9
reformat, simplify, add reference log files
2021-07-29 15:40:43 -04:00
dcff3d70e0
simplify fix instance creation
2021-07-29 15:18:58 -04:00
b9ab0eb607
fix broken symbolic links
2021-07-28 21:32:52 -04:00
f192102da9
move examples away from USER-MISC now that the package folder is gone
2021-07-24 20:53:23 -04:00
d2684a2370
Merge branch 'master' into package-reorganization2
2021-07-23 07:41:10 -04:00
c78d4eab36
update standard examples for new style names
2021-07-21 22:52:43 -04:00
f8f4af471f
general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff"
2021-07-21 21:52:25 -04:00
d16f751413
Merge branch 'master' into package-reorganization2
2021-07-21 10:23:04 -04:00
cf3bf374fa
Merge branch 'master' into refactor-reaxff-parser
2021-07-21 00:30:53 -04:00
6604508b55
Merge branch 'master' into collected-small-changes
2021-07-20 19:39:10 -04:00
96389213ab
Merge pull request #2788 from jtclemm/track-contacts
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Track properties of pair interactions
2021-07-20 19:38:21 -04:00
8a4820a033
add data/units comments to example quip potential files
2021-07-20 19:31:52 -04:00
