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
...
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
...
# 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"
...
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
...
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
...
# 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
359aa1d805
Merge branch 'master' into acks2_release
2021-09-30 00:26:25 -04:00
7eba439388
add special_bonds command to water examples
2021-09-27 14:29:11 -06:00
4d9cef823d
must use a soft core potential to avoid a singularity
2021-09-24 16:22:44 -04:00
0f2bebdb9b
Adding bpm/spring pairstyle, misc small edits
2021-09-24 10:45:46 -06:00
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
18f0d2e1b5
Adding spring bondstyle
2021-09-20 18:06:10 -06:00
