|
|
f121ae98d6
|
forget to update
|
2021-05-13 11:34:58 -04:00 |
|
|
|
9cfe665b7a
|
bugfix
|
2021-05-13 11:34:28 -04:00 |
|
|
|
30d2f18ccb
|
whitespace fixes
|
2021-05-13 09:57:58 -04:00 |
|
|
|
33205ed91f
|
Use "mdi/engine" consistenty, complete integration in manual, spelling
|
2021-05-13 09:57:08 -04:00 |
|
|
|
f86f182cd3
|
cosmetic changes
|
2021-05-13 08:59:02 -04:00 |
|
|
|
1f7343d60f
|
format tweaks
|
2021-05-13 08:57:53 -04:00 |
|
|
|
d9505a4527
|
cmake tweaks
|
2021-05-13 08:57:41 -04:00 |
|
|
|
800c7cc6c3
|
Update USER-MDI README
|
2021-05-12 20:40:58 -04:00 |
|
|
|
53397fdda5
|
Expand MDI examples README
|
2021-05-12 18:31:10 -04:00 |
|
|
|
6f9f13c97b
|
Update style of MDI function calls
|
2021-05-12 18:31:10 -04:00 |
|
|
|
74db24110f
|
Fix bug when using mdi_engine command in parallel
|
2021-05-12 18:31:10 -04:00 |
|
|
|
1cbfcf5182
|
Fix bug in mdi_interface.h
|
2021-05-12 18:31:10 -04:00 |
|
|
|
6fa136f230
|
Add MDI_Comm typedef to dummy MDI interface
|
2021-05-12 18:31:10 -04:00 |
|
|
|
04754bc812
|
Add support for MDI >CELL command
|
2021-05-12 18:31:10 -04:00 |
|
|
|
edfb27f964
|
Add support for MDI CELL_DISPL commands
|
2021-05-12 18:31:10 -04:00 |
|
|
|
b940914f45
|
Improvements to the MDI interface
|
2021-05-12 18:31:10 -04:00 |
|
|
|
5595fe2ef6
|
Improves USER-MDI style and formatting
|
2021-05-12 18:31:10 -04:00 |
|
|
|
94b52d3bd1
|
Minor fixes to MDI documentation
|
2021-05-12 18:31:10 -04:00 |
|
|
|
2d12d04545
|
additions/changes to MDI doc pages
|
2021-05-12 18:31:10 -04:00 |
|
|
|
eacfe05e0f
|
Fix bug in MDI cmake build
|
2021-05-12 18:31:10 -04:00 |
|
|
|
64fa70f8d2
|
Add USER-MDI README file
|
2021-05-12 18:31:10 -04:00 |
|
|
|
a731c43000
|
Add docs for mdi_engine command and fix
|
2021-05-12 18:31:10 -04:00 |
|
|
|
66fb5e1cf3
|
Add documentation for MDI library functions
|
2021-05-12 18:31:10 -04:00 |
|
|
|
e053619eed
|
Add call to MDI_Set_execute_command
|
2021-05-12 18:31:10 -04:00 |
|
|
|
b95fa003f5
|
Add support for MDI Plugin System
|
2021-05-12 18:31:10 -04:00 |
|
|
|
2854ea29a5
|
Add additional MDI examples
|
2021-05-12 18:31:10 -04:00 |
|
|
|
4a0b71f66b
|
Add MDI example
|
2021-05-12 18:31:10 -04:00 |
|
|
|
e465205c05
|
Automatically add mdiengine fix
|
2021-05-12 18:31:10 -04:00 |
|
|
|
738fdc2901
|
Simplify MDI add_compute calls
|
2021-05-12 18:31:10 -04:00 |
|
|
|
43935724ba
|
Fix bugs in MDI cmake config
|
2021-05-12 18:31:10 -04:00 |
|
|
|
6aa70bff02
|
Improve MDI package install
|
2021-05-12 18:31:10 -04:00 |
|
|
|
63578e3f10
|
Add MDI errors when using lj units
|
2021-05-12 18:31:10 -04:00 |
|
|
|
b21479e20a
|
Added initial MolSSI Driver interface
|
2021-05-12 18:31:10 -04:00 |
|
|
|
a7b514e373
|
fix issue with breathe's doxygen to sphinx translation
|
2021-05-12 18:03:05 -04:00 |
|
|
|
9a36acf96b
|
Merge branch 'master' into collected-small-changes
|
2021-05-12 18:01:48 -04:00 |
|
|
|
058d56cf5c
|
Merge pull request #2733 from stanmoore1/kk_update_3.4.0
Update Kokkos library in LAMMPS to v3.4.0
|
2021-05-12 17:00:44 -04:00 |
|
|
|
e960674cea
|
Merge pull request #2536 from jtclemm/multi_epcc
Add faster method for multi neighboring
|
2021-05-12 15:25:28 -04:00 |
|
|
|
a8f469b105
|
refactor strtok
|
2021-05-12 15:05:46 -04:00 |
|
|
|
e715688d03
|
dead code removal
|
2021-05-12 14:22:48 -04:00 |
|
|
|
1f2b709b83
|
strdup update
|
2021-05-12 14:17:42 -04:00 |
|
|
|
0ee7bc6e01
|
Update remaining variable names after refactor
|
2021-05-12 13:57:51 -04:00 |
|
|
|
8617770592
|
Merge pull request #2511 from samueljmcameron/fix_bd_sphere
Add USER-BROWNIAN package
|
2021-05-12 13:51:42 -04:00 |
|
|
|
4ccb17ab62
|
whitespace
|
2021-05-12 13:49:41 -04:00 |
|
|
|
fdfbb0f425
|
Merge pull request #2706 from gugmelik/smooth-gpu
GPU version of pair_style lj/smooth
|
2021-05-12 12:02:08 -04:00 |
|
|
|
cac634076d
|
ensuring cutusermulti always created
|
2021-05-12 08:59:12 -06:00 |
|
|
|
7f94712839
|
Explicitly defining default ncollections
|
2021-05-12 08:17:14 -06:00 |
|
|
|
dfb15e76c3
|
Merge branch 'master' of https://github.com/lammps/lammps into kk_update_3.4.0
|
2021-05-12 08:14:03 -06:00 |
|
|
|
e3c9e9c328
|
document scalar output property of fix grem
|
2021-05-12 09:13:47 -04:00 |
|
|
|
6b45f9052f
|
small fixed and error checking
|
2021-05-12 08:55:00 -04:00 |
|
|
|
1d10147cb6
|
reformat and shorten new example inputs
|
2021-05-12 07:53:18 -04:00 |
|
