|
|
5210c4c3a4
|
cosmetic reformatting of new GRANULAR files
|
2019-03-27 16:58:14 -06:00 |
|
|
|
6b09f6d490
|
bug fix for tiled communication at cutoffs near box size
|
2019-03-27 15:51:10 -06:00 |
|
|
|
28a6dcd1c3
|
Merge pull request #1384 from lammps/rendezvous2
second attempt at adding rendezvous protocol for some to some communication.
|
2019-03-27 17:44:16 -04:00 |
|
|
|
2ad9355140
|
Merge pull request #1383 from akohlmey/final-changes-for-patch
Several small changes and tweaks for patch release
|
2019-03-27 17:00:56 -04:00 |
|
|
|
e63d2cee87
|
Merge pull request #1375 from akohlmey/install-python-for-cmake
Refactor python module installer and add install-python target to CMake
|
2019-03-27 16:47:25 -04:00 |
|
|
|
b685a0a7b8
|
need to use fabs() when computing deltas when checking image flags for consistency
|
2019-03-27 15:47:14 -04:00 |
|
|
|
8a384df5c3
|
use utils::strmatch() instead of strncmp()
|
2019-03-27 06:19:42 -04:00 |
|
|
|
8ba1d76055
|
some dead code removal and more whitespace cleanup
|
2019-03-27 05:38:41 -04:00 |
|
|
|
af8f06141f
|
Step version string for next patch release
|
2019-03-26 23:02:07 -04:00 |
|
|
|
b6b0d0b30e
|
minor whitespace cleanup commit to retrigger PR tests on github
|
2019-03-26 16:43:09 -04:00 |
|
|
|
5a6a8a9e57
|
Merge pull request #1379 from lammps/hyper
Hyper-dynamics update
|
2019-03-26 16:30:37 -04:00 |
|
|
|
26b90727b3
|
whitespace cleanup
|
2019-03-26 13:26:09 -04:00 |
|
|
|
cf349633f7
|
cosmetic changes
|
2019-03-26 13:09:49 -04:00 |
|
|
|
efad31f474
|
bug fixes to added rendezvous algorithms
|
2019-03-26 10:09:16 -06:00 |
|
|
|
fff28a8666
|
remove trailing whitespace
|
2019-03-26 11:17:21 -04:00 |
|
|
|
1266b866e0
|
add some degree of endian detection to hashlittle.cpp
|
2019-03-26 11:01:39 -04:00 |
|
|
|
1ca0c78a2e
|
turn off diagnostic output for rendezvous op
|
2019-03-26 11:01:39 -04:00 |
|
|
|
0bf6b91576
|
bug fix for new fix shake redezvous comm
|
2019-03-26 11:01:39 -04:00 |
|
|
|
62045a9c52
|
cleanup up rendezvous diagnostic output
|
2019-03-26 11:01:38 -04:00 |
|
|
|
bbe6c9bb63
|
added diagnostic info for memory and balance info
|
2019-03-26 11:01:38 -04:00 |
|
|
|
fc002e30d3
|
added rendezvous via all2all
|
2019-03-26 11:01:38 -04:00 |
|
|
|
981f12ebeb
|
fix a small memory leak in SHAKE setup
|
2019-03-26 11:01:38 -04:00 |
|
|
|
b370a61b60
|
added rendezvous alg to fix shake
|
2019-03-26 11:01:38 -04:00 |
|
|
|
a3a16acead
|
propagate rendezvous changes to fix rigid/small
|
2019-03-26 11:01:38 -04:00 |
|
|
|
17817fc290
|
less comm version of special bonds rendezvous
|
2019-03-26 11:01:38 -04:00 |
|
|
|
3f9d59294e
|
replace STL map with atom->map in special, better code comments
|
2019-03-26 11:01:37 -04:00 |
|
|
|
9912c44413
|
rendevous comm option for special bonds and fix rigid/small
|
2019-03-26 11:01:33 -04:00 |
|
|
|
8c99752cec
|
Add fix elstop to USER-MISC
Implements inelastic energy loss for fast particles in solids.
|
2019-03-26 10:08:20 +02:00 |
|
|
|
82d646cede
|
print warning about missing fix nve/spin only on MPI rank 0
|
2019-03-25 20:59:22 -04:00 |
|
|
|
7b3f952990
|
whitespace cleanup and dead code removal
|
2019-03-25 20:50:39 -04:00 |
|
|
|
b8c4e09b27
|
Put #ifdef around #include "curl/curl.h" in kim_query.cpp
|
2019-03-25 19:14:08 -05:00 |
|
|
|
81a4d293db
|
Commit4 JT 032519
- corrected documentation (errors in min_spin.txt and
min_modify.txt)
- changed the code accordingly
|
2019-03-25 15:43:58 -06:00 |
|
|
|
cb92bccdff
|
Merge pull request #1238 from lammps/rendezvous
Implement rendezvous protocol for more efficient communication setup for large number of MPI ranks
|
2019-03-25 17:20:00 -04:00 |
|
|
|
30be5e94d9
|
Commit3 JT 032519
- updated the README file
- updated examples/SPIN/spinmin/
|
2019-03-25 14:22:16 -06:00 |
|
|
|
7a00997a14
|
Commit2 JT 032519
- added equations for documentation
- updated examples (not calling fix nve/spin)
- replaced error message by warning in all pair/spin
|
2019-03-25 14:03:28 -06:00 |
|
|
|
a726362888
|
Commit JT 032519
- adding all min files into new branch
- preparing branch for pull request of spin minimizer
|
2019-03-25 12:57:42 -06:00 |
|
|
|
3e8c1c801b
|
add some degree of endian detection to hashlittle.cpp
|
2019-03-25 14:03:29 -04:00 |
|
|
|
2f20581b29
|
Merge pull request #1374 from akohlmey/collected-small-fixes
Collected small changes for the next patch release
|
2019-03-25 13:15:45 -04:00 |
|
|
|
5d54e888d5
|
Merge pull request #1371 from akohlmey/add-kim-query
Add kim_query command to KIM package
|
2019-03-25 13:15:20 -04:00 |
|
|
|
1bd47f0318
|
Merge pull request #1365 from martok/meamc-evclear
Consolidate clearing of eflags and vflags
|
2019-03-25 13:14:59 -04:00 |
|
|
|
b055837f49
|
Merge pull request #1372 from julient31/minprec_spin
Add min_post_force in fix_precession_spin
|
2019-03-25 13:14:46 -04:00 |
|
|
|
eedc88eb9b
|
MPI_Abort removed from reax/c/kk + fixed some declarations
|
2019-03-25 18:01:31 +01:00 |
|
|
|
88755aefca
|
Added support for reax/c/omp
|
2019-03-25 17:44:52 +01:00 |
|
|
|
ab748ffe48
|
turn off diagnostic output for rendezvous op
|
2019-03-25 10:29:06 -06:00 |
|
|
|
a20d58312d
|
add missing convesion to fractional coordinates and back for enforced PBC dumps of triclinic cells
|
2019-03-25 12:25:50 -04:00 |
|
|
|
e04ab51970
|
bug fix for new fix shake redezvous comm
|
2019-03-25 10:20:32 -06:00 |
|
|
|
a89a2de9d4
|
Removed unnecessary MPI_comm
|
2019-03-25 16:45:59 +01:00 |
|
|
|
b2a7205abe
|
re-order ev_init() and ev_setup() so that 'init' comes before 'setup' as requested by @sjplimp
|
2019-03-25 11:31:23 -04:00 |
|
|
|
881cc71a44
|
Merge branch 'master' into hyper
|
2019-03-25 09:21:09 -06:00 |
|
|
|
83e458af0b
|
Cleaning changes 2
|
2019-03-25 15:22:20 +01:00 |
|
