325350dce4
small tweaks
2024-06-09 12:03:40 -04:00
91b9308d4f
initial version of pair style hybrid/molecular
2024-06-09 07:02:18 -04:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
6fac8f1688
remove unused NeighRequest member variable index
2022-09-22 11:32:14 -04:00
de274cddef
Add pair_modify option to allow separate cutoffs for each neigh list with pair hybrid/overlay
2022-07-07 16:48:03 -06:00
cab6fca22e
update to latest upstream and modernize neighbor list request handling
2022-04-09 07:00:39 -04:00
3ef02edb48
adapt KOKKOS package styles to use new neighbor list request API
2022-03-09 22:43:38 -05:00
2e2bd37883
automatically enable intel neighbor list request property for intel pair styles
2022-03-09 21:19:19 -05:00
3b0a6ac840
add support for requesting SSA neighbor lists and update a few more styles
2022-03-08 06:17:13 -05:00
795f24c3ff
honor NEWTON_ON/OFF request flags
2022-03-08 05:17:18 -05:00
54e667e491
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
ffb367663d
add more accessor functions
2022-03-05 21:08:25 -05:00
d4272815a3
add new APIs for creating and manipulating neighbor list requests
...
also add a few new (delegating) constructors to simplify code
2022-03-02 21:30:16 -05:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
697f82c145
whitespace
2021-02-10 18:40:25 -05:00
cb7e68644f
fix issues with multiple uses of create_bonds command
2021-02-10 16:21:25 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
b95cf658c7
remove faulty line of code, left in by accident
2018-01-16 14:10:46 -05:00
2ad823ffd4
correct check for identical requests
2018-01-16 14:08:18 -05:00
8d37c89cb6
different bug fix for create_bonds, delete_atoms neigh list issue
2018-01-16 11:32:37 -07:00
0966e14e73
more changes to rRESPA neighbor lists
2017-10-17 17:33:01 -06:00
01051e4cb1
refactoring of neighbor history
2017-10-10 16:53:51 -06:00
bdfb7c69ea
Remove unused code detected by coverity CID 177700
2017-05-22 17:51:40 -04:00
7f9a331c73
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
2017-05-16 15:51:41 -06:00
1cd4c48ccc
new SNAP potential for W
2017-02-21 15:49:21 -07:00
f8506fee23
sync GHub with SVN
2017-01-26 14:06:43 -07:00
daf766d4f8
Fixing Kokkos neighbor bug
2017-01-12 16:22:38 -07:00
c9c2ae6c61
new neighbor list changes
2016-09-07 13:42:58 -06:00
6bc507cd6a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15274 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-09 20:41:07 +00:00
9da26677c5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15265 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-06 15:52:15 +00:00
50ac419d3f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15159 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-08 23:15:55 +00:00
f86a9f4283
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14515 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-28 21:24:58 +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
e72afc5488
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12955 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:38:26 +00:00
0f6eb0877e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 16:30:03 +00:00
d37745fa1b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12111 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-10 17:37:48 +00:00
49c0f92b04
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12022 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-23 18:17:02 +00:00
a59a131024
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12017 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-22 14:38:26 +00:00
5bdd5c3c25
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11627 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-12 16:37:16 +00:00
5618d58184
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11053 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-11-22 22:27:51 +00:00
f447886276
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11052 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-11-22 22:15:48 +00:00
8cc9aa5698
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9050 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-11-10 01:18:09 +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
c6bbdcfbf2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-24 20:28:02 +00:00
3d149b4676
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6183 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-05-20 16:22:41 +00:00
05f10e15a2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5918 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-11 15:26:40 +00:00
