|
|
d7a2949d1a
|
Revert "Rendezvous"
|
2019-03-25 21:30:48 -04:00 |
|
|
|
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 |
|
|
|
ab748ffe48
|
turn off diagnostic output for rendezvous op
|
2019-03-25 10:29:06 -06:00 |
|
|
|
a278df586d
|
cleanup up rendezvous diagnostic output
|
2019-01-24 09:56:21 -07:00 |
|
|
|
9de0262155
|
added rendezvous via all2all
|
2019-01-23 14:49:52 -07:00 |
|
|
|
e538fd5c6d
|
added rendezvous alg to fix shake
|
2018-12-12 17:14:56 -07:00 |
|
|
|
7c3d6dc051
|
propagate rendezvous changes to fix rigid/small
|
2018-12-07 16:43:01 -07:00 |
|
|
|
1c795a6be3
|
remove trailing blanks
|
2018-12-01 21:38:22 -05:00 |
|
|
|
2e0d69b005
|
replace STL map with atom->map in special, better code comments
|
2018-11-30 13:06:31 -07:00 |
|
|
|
ab1c3f6498
|
rendevous comm option for special bonds and fix rigid/small
|
2018-11-30 11:54:48 -07:00 |
|
|
|
9c27548a5c
|
more replacing of sprintf() with snprintf()
|
2018-09-06 10:45:48 -04:00 |
|
|
|
71bc72ec13
|
formatting: add additional space to avoid bad syntax highlights
|
2018-08-27 22:13:43 -04:00 |
|
|
|
92a4dc25b1
|
Fix unused params in packages (#1076)
|
2018-08-24 10:42:08 -06:00 |
|
|
|
f864584bce
|
correct small bugs found by coverity scan static code analysis
- in fix rigid, rigid/small, and poems, a string argument was
incorrectly assigned to a %d format
- plug two small memory leaks in fix bond/react
|
2018-05-11 00:43:09 -04:00 |
|
|
|
0c53afbfcf
|
more changes to fix rigid and fix poems
|
2018-05-05 10:39:01 -06:00 |
|
|
|
6886dcb2e4
|
correct minor issues, so LAMMPS compiles again
|
2018-05-03 23:04:07 -04:00 |
|
|
|
844858d3a7
|
2nd set of updates
|
2018-05-03 17:00:08 -06:00 |
|
|
|
2b8576c7c7
|
first updates
|
2018-05-03 16:55:22 -06:00 |
|
|
|
e4071d7f46
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
|
|
59dbb49cf9
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
|
|
ee862d8bf5
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
|
|
0a02c3c78c
|
fix segfault bug for in fix rigid/small found by regression testing
|
2017-10-20 16:56:06 -04:00 |
|
|
|
961b976374
|
add/correct code to define rigid bodies with atomstyle/atomfile variables and via custom per-atom properties
|
2017-10-20 13:56:09 -04:00 |
|
|
|
b0b67ca610
|
Merge branch 'master' into master
|
2017-10-18 18:49:15 -04:00 |
|
|
|
e196a2b9e5
|
import changes to various fixes by aidan to include virial contributions
|
2017-09-11 22:24:06 -04:00 |
|
|
|
08bdc4e422
|
minor cleanup
|
2017-09-07 12:01:19 -04:00 |
|
|
|
fd0fae4847
|
Langevin thermostat applied only at post_force in rigid-body fixes
|
2017-09-05 23:40:14 -03:00 |
|
|
|
3d614bbc87
|
Bug fix in multiple fix rigid check
|
2017-09-01 12:23:48 -03:00 |
|
|
|
6e945f72f4
|
Keyword 'bodyforces' added to fix_modify command
- Applies to classes FixRigid, FixRigidSmall, and FixPOEMS
|
2017-09-01 00:16:54 -03:00 |
|
|
|
f56a345ae9
|
implement "earlyflag" to select when to compute body torques/forces
|
2017-08-31 16:15:39 -04:00 |
|
|
|
fa5ec0bae7
|
Fixes with post-force() not allowed after fix rigid or rigid/small
|
2017-08-27 19:22:37 -03:00 |
|
|
|
7572dc63db
|
Computation of forces/torques on rigid bodies moved to post_force
|
2017-08-26 18:24:47 -03:00 |
|
|
|
a9ff593763
|
avoid segfault when calling enforce2d before langevin data has been initialized
|
2017-07-12 09:48:07 -04:00 |
|
|
|
9aa450b832
|
Merge pull request #528 from akohlmey/no_static_in_ring_comm
Refactor ring communication to no longer require static class variables
|
2017-06-15 11:13:07 -06:00 |
|
|
|
d3c90f3c14
|
Merge pull request #510 from akohlmey/collected-small-changes
Collected small changes
|
2017-06-15 11:12:14 -06:00 |
|
|
|
fcc387f232
|
change ring communication API to no longer require a static variable pointing to 'this' of the caller
|
2017-06-14 17:01:06 -04:00 |
|
|
|
0c805d0b70
|
correctly skip over point particles and point dipoles when counting extendend particles in fix rigid/small
|
2017-06-12 14:20:38 -04:00 |
|
|
|
6b289b0794
|
change incorrect EINERTIA constant in rigid body integrators from 4.0 to 2.0 (same as in other integrators)
|
2017-06-12 14:07:40 -04:00 |
|
|
|
deff6c666e
|
add flag "reinit" with args "yes" / "no" to fixes rigid & rigid/small
|
2017-06-05 17:31:43 -04:00 |
|
|
|
3a054d1a82
|
Fix more typos in src files
|
2017-03-07 00:55:01 -05:00 |
|
|
|
7cd7cda2d4
|
Initialize pointers in RIGID and SHOCK
|
2016-11-07 20:22:04 +01:00 |
|
|
|
0f6d21acda
|
sync with Git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15576 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-09-14 15:27:51 +00:00 |
|
|
|
503cd82065
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15190 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 20:56:22 +00:00 |
|
|
|
354e20f431
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
|
|
36018a3c43
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13975 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-09-02 14:04:46 +00:00 |
|
|
|
a2c475b1a2
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13618 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-16 22:34:54 +00:00 |
|
|
|
f7bc08d83d
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-15 21:29:44 +00:00 |
|
|
|
ba5cad5641
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13574 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-14 17:20:50 +00:00 |
|
|
|
45b935ead3
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13448 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-04-30 17:33:34 +00:00 |
|
|
|
74350d06da
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13412 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-04-16 14:32:49 +00:00 |
|
