Commit Graph

72 Commits

Author SHA1 Message Date
7967cb1133 put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI 2019-07-03 06:16:16 -04:00
557a1274e4 even more include file cleanup 2019-06-28 07:09:57 -04:00
a0450fbd2b fix copy-n-modify error 2019-02-17 18:51:15 -05:00
07c1942b13 update global bonus data counters after deleting atoms 2019-02-17 17:14:45 -05:00
4ec05a3389 remove some more trailing whitespace 2018-12-01 08:14:02 -05:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
5fd17670b1 new reset_ids command and dump_modify delay option 2018-03-28 11:31:35 -06:00
6965307250 print warning when "compress yes" is ignored with delete_atoms 2018-03-13 22:58:39 -04:00
99d5957a01 make default argument of virtual function Neighbor::build() explicit 2018-02-22 08:42:36 -05:00
8d37c89cb6 different bug fix for create_bonds, delete_atoms neigh list issue 2018-01-16 11:32:37 -07:00
2896df2140 avoid that occasional neighbor lists requested from commands linger around for too long and thus cause segementation faults 2018-01-04 17:16:31 -05:00
31eb12920c Use multiple inheritance to remove accelerator_kokkos.h out of region.h and kspace.h 2017-12-01 10:18:22 -07:00
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
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
32b967ed9c add rigid body overlap warnings to change_box and delete_atoms 2017-06-13 16:26:49 -04:00
d9891abdf4 new library functions 2016-10-27 09:34:04 -06:00
0f71c66b6f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15348 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-22 21:19:08 +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
047be536bc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-02 20:39:55 +00:00
916fc0f1cb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13889 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-18 21:13:14 +00:00
106b16942e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12970 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-20 22:26:55 +00:00
7361c8d0a3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12966 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-20 20:26:59 +00:00
4e87fa9fd2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12963 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-20 18:55:01 +00:00
72ac6ea854 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12956 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-19 23:43:48 +00:00
a630194311 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12941 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-15 15:15:21 +00:00
bcca087203 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12934 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-13 15:27:17 +00:00
9beaf33d86 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12891 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-06 21:58:58 +00:00
f22314495c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12886 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-06 21:07:35 +00:00
2516600403 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12579 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-30 23:20:03 +00:00
31509b7528 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12409 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-09-05 15:06:29 +00:00
7872ffe797 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12157 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-06-27 23:28:02 +00:00
d543c0199e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11973 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-12 22:29:09 +00:00
af5d91115f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11875 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-02 14:28:56 +00:00
1f8353a93d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11854 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-30 17:41:33 +00:00
0343052dc9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11766 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-10 20:21:07 +00:00
0ce16af78b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-25 22:46:08 +00:00
127eb167c1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-22 17:44:32 +00:00
bad19033d0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-01-17 18:43:09 +00:00
b13ebf5889 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10224 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-08 14:45:35 +00:00
aa33af4032 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-28 19:00:58 +00:00
60b9a09f77 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9901 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-23 22:45:11 +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
3450c008aa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:29:18 +00:00
52568d2738 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7849 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:19:20 +00:00
19e8c92a90 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-09-23 18:06:55 +00:00
aedbb28b6c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-06-30 20:10:18 +00:00
8ff0659bae git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5947 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-15 22:25:19 +00:00
eb7d288360 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5896 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-05 19:10:43 +00:00
1f2a7add78 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-03-26 00:50:29 +00:00
d51c47d9ab git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:09:18 +00:00