3748ddb1ae
Merge branch 'lammps:develop' into cg-dna
2021-12-15 09:02:57 +00:00
33aea05080
adjust example for changes in when reset_timestep may be used
2021-12-12 10:01:52 -05:00
c69edde55c
Eliminated several undefined variables
2021-12-10 18:30:44 -07:00
abd3df0c5a
Merge pull request #3040 from akohlmey/collected-small-changes
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Collected small changes and bugfixes
2021-12-10 15:51:13 -05:00
439853c4a8
Moving store/local to an internal fix
2021-12-10 10:33:52 -07:00
6140503158
update local/density examples to follow conventions more closely
2021-12-10 08:50:58 -05:00
3fc0ea3e80
correct names of the pack/unpack routines for forward communication
2021-12-09 18:30:54 -05:00
a975d0506a
update examples for pair style local/density
2021-12-09 18:21:32 -05:00
455cb09cf4
Adding compatability with MC fixes, set_array to property/atom, faster update/special/bonds, single methods, and misc small changes
2021-12-08 16:47:42 -07:00
3d3b153b35
add proper symlink
2021-12-06 13:45:04 -05:00
e36029293a
update documentation and examples
2021-12-04 17:38:29 +02:00
40258f8b9a
Adding Steve's edits in documenation + associated changes in files
2021-12-03 16:12:31 -07:00
1dd4a67771
add keyword for userdefined maxdelcs
2021-12-03 17:32:08 +02:00
7651be3e02
add force style test
2021-12-02 12:20:33 -05:00
ecd51ba4fe
remove obsolete/redundant files
2021-12-02 12:20:10 -05:00
30d3b2c209
merge rst files and add omp style
2021-12-02 15:46:00 +02:00
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
3bc36070a9
fix the invoking issue
2021-12-01 04:56:46 +02:00
8556b71949
derived class of sw
2021-11-30 10:14:20 +02:00
597054edf3
A modification to SW potential
2021-11-29 16:08:32 +02:00
c918b6fbcc
removed example dump file
2021-11-18 14:36:38 +01:00
4646671e70
added examples
2021-11-18 14:32:39 +01:00
a759987515
added examples
2021-11-18 14:31:21 +01:00
a5df494176
added examples
2021-11-18 14:30:26 +01:00
d178a5ffa3
Extended test script
2021-11-17 13:12:44 +00:00
acb1c8e7f2
Moving update/special/bonds into bond style to ensure correct fix ordering
2021-11-07 17:55:53 -07:00
6479116419
Merge branch 'develop' into multi-config-support
2021-11-02 16:39:12 -04:00
d7f7835069
Fix merge conflicts, minor style fixes
2021-11-01 18:13:06 -06:00
591af3f560
Eliminated obvious but hard to find error in neighbor list request
2021-10-29 07:49:15 -06:00
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
6d5506353b
Eliminated a few mistakes,s till not working
2021-10-24 15:45:24 -06:00
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
657fcfa30d
added support for dihedral (torsion) calcs
2021-10-19 17:29:53 -06:00
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
f41d650294
Added non-working pair script
2021-10-03 17:59:33 -06:00
