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8d5a59c0fa
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Switched all command and class names from pressure to stress
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2022-03-07 11:27:37 -07:00 |
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e857b923bc
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Added representative output to log files
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2022-03-06 20:11:10 -07:00 |
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2f5f36cff8
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move examples to a more appropriate folder. add logfiles
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2022-03-06 11:03:57 -05:00 |
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fac3ce4507
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example files for pressure/cartesian/cylinder/spherical
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2022-03-06 12:43:37 +01:00 |
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8b627f92f0
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address spelling and achor issues, and integrate into style overview tables
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2022-02-16 08:10:29 -05:00 |
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e541f006eb
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replace copies of files with symbolic links
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2022-02-16 06:34:31 -05:00 |
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922b240678
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Interlayer Potential for TMDs and Metal Surfaces
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2022-02-12 06:05:11 +02:00 |
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172f88a0d5
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Merge pull request #3104 from ohenrich/cg-dna
CG-DNA unit test and performance enhancement
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2022-02-01 18:30:13 -05:00 |
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fbecf0051e
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Merge remote-tracking branch 'upstream/develop' into numdiff-stress
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2022-01-28 18:36:27 -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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41c1c64be9
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Merged with deveop branch
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2022-01-28 20:27:38 +00:00 |
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d6a6f64576
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Merge pull request #3090 from rbberger/modernize_use_override
Modernize to C++11: use override
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2022-01-28 14:10:45 -05:00 |
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415476983d
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Merge branch 'develop' into cg-dna
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2022-01-26 19:31:48 +00:00 |
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ef2969dfbf
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use override keyword in plugin sources
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2022-01-22 10:30:58 -05:00 |
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3e3cd4c94d
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Added correct units for pressure, still getting wrong answer
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2022-01-21 19:46:54 -07:00 |
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3286fcb13a
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Added correct units for pressure, still getting wrong answer
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2022-01-21 19:29:23 -07:00 |
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c16caea13b
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Fixed bounds error
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2022-01-21 19:17:12 -07:00 |
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384b715d8c
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First pass at fix numdiff/stress
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2022-01-21 18:53:06 -07:00 |
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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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1f81e2afad
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Added duplication of stdout into logfile
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2022-01-07 13:45:54 +00:00 |
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3748ddb1ae
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Merge branch 'lammps:develop' into cg-dna
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2021-12-15 09:02:57 +00:00 |
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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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d178a5ffa3
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Extended test script
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2021-11-17 13:12:44 +00:00 |
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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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