|
|
cc0cf3b94f
|
consolidate USER-REAXC init error message handling. avoid snprintf and buffer
|
2020-07-28 20:40:57 -04:00 |
|
|
|
1418ec4ace
|
make MIN_HBONDS define for reax/c configurable via an input option
|
2020-05-01 23:22:48 -04:00 |
|
|
|
d05787ab99
|
clean up include in USER-REAXC
|
2019-07-11 07:16:53 -04:00 |
|
|
|
08ac695a06
|
move include statements from headers to implementation files where possible in USER-REAXC
|
2019-06-27 01:03:08 -04:00 |
|
|
|
3d7a4fb945
|
silence compiler warnings, remove dead code
|
2019-04-05 17:04:07 -04:00 |
|
|
|
4f026b9b38
|
remove trailing whitespace
|
2019-04-05 06:14:10 -04:00 |
|
|
|
d7a5bf4e16
|
Repair last commit
|
2019-04-03 18:52:14 +02:00 |
|
|
|
1a105253c1
|
Check the MPI rank differently
|
2019-04-03 18:24:38 +02:00 |
|
|
|
f2f49e60bf
|
Make some errors more elaborate + change some error->all to error->one
|
2019-04-03 18:12:12 +02:00 |
|
|
|
799c16a8b2
|
restore a removed check + print some warnings only once
|
2019-04-01 17:04:09 +02:00 |
|
|
|
adbc64b45e
|
Cleaning includes + changing error->all to error->one
|
2019-04-01 16:34:34 +02:00 |
|
|
|
a89a2de9d4
|
Removed unnecessary MPI_comm
|
2019-03-25 16:45:59 +01:00 |
|
|
|
99acb4ac54
|
Cleaning changes 1
|
2019-03-25 15:00:52 +01:00 |
|
|
|
111ff4475e
|
Pointer moved to reax lists
|
2019-03-25 14:18:55 +01:00 |
|
|
|
3a4bb6f980
|
All errors and warning are now printed through LAMMPS
|
2019-03-12 20:19:56 +01:00 |
|
|
|
146e2f283a
|
Better error handling in reaxc_forces
|
2019-03-05 19:11:33 +01:00 |
|
|
|
1991ff6c48
|
consistent formatting: replace "if( XXX)" with "if (XXX)"
|
2018-12-29 17:08:12 -05:00 |
|
|
|
f25bfd5931
|
consistent formatting: replace "if( XXX )" with "if (XXX)"
|
2018-12-29 17:04:28 -05:00 |
|
|
|
31427a2380
|
consistent formatting: replace "if( XXX ){" with "if (XXX) {"
|
2018-12-29 12:32:59 -05:00 |
|
|
|
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 |
|
|
|
47e2ca6eb2
|
apply bugfix to reaxff taper function as described in issue #828
|
2018-03-07 09:52:14 -05:00 |
|
|
|
addd87c0f7
|
new Section package and start doc pages and build scripts
|
2017-05-04 11:22:20 -06:00 |
|
|
|
5f76611ecf
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13861 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-08-10 23:50:55 +00:00 |
|
|
|
88d6e13898
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12661 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-30 15:07:14 +00:00 |
|
|
|
d353f8b729
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11912 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-05-06 15:13:52 +00:00 |
|
|
|
ddcab1268e
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11904 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-05-02 21:38:42 +00:00 |
|
|
|
4ec21d8ca8
|
Added reax/c array allocation keywords
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8518 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-07-31 23:08:39 +00:00 |
|
|
|
ef9e700545
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-06 22:47:51 +00:00 |
|
|
|
2e32772d1d
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7031 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2011-10-06 14:25:53 +00:00 |
|
|
|
ef7e03bb45
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6963 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2011-09-14 20:01:27 +00:00 |
|
|
|
bfd6a79fe6
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5143 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2010-10-26 16:14:31 +00:00 |
|
