|
|
88a32e6916
|
refactor domain and fix_deform for KOKKOS
|
2024-08-05 22:01:40 -04:00 |
|
|
|
877d6e7f86
|
remove whitespace
|
2024-04-08 10:49:53 -06:00 |
|
|
|
c2b91ccc8a
|
better documention and error checking for 2d general triclinic
|
2024-04-08 10:43:20 -06:00 |
|
|
|
1a019889f2
|
more doc page and thermo edge vector modifications
|
2024-04-05 16:22:54 -06:00 |
|
|
|
4a36053bbb
|
Merge branch 'develop' into general-triclinic
|
2024-04-05 15:50:55 -06:00 |
|
|
|
7122a85c0b
|
remove some debug info
|
2024-04-05 15:43:54 -06:00 |
|
|
|
d615d8053b
|
support for general tri edge vectors in thermo output
|
2024-04-05 14:31:53 -06:00 |
|
|
|
72d7ba85ad
|
call alternate minimum image code from @stanmoore1 from fix rigid/small
|
2024-04-04 20:49:20 -04:00 |
|
|
|
7905e5d146
|
Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
|
2024-01-29 21:05:21 -05:00 |
|
|
|
6442e05988
|
even more define to static constexpr conversions
|
2024-01-25 02:17:28 -05:00 |
|
|
|
12422ff510
|
replace defines with static constexpr declarations
|
2024-01-21 15:53:35 -05:00 |
|
|
|
45372937db
|
loads of whitespace fixes
|
2023-12-01 14:52:47 -05:00 |
|
|
|
56b2c7ed46
|
alter how lattice interacts with create_box and create_atoms for general triclinic
|
2023-11-17 17:10:45 -07:00 |
|
|
|
4da49c6d85
|
more updates to doc page and read_data functionality
|
2023-11-13 15:22:17 -07:00 |
|
|
|
612a919e93
|
more work on read_data and doc pages
|
2023-11-06 16:56:33 -07:00 |
|
|
|
6fe6395ab2
|
reset quats for ellipsoids for general <-> restriced triclinic
|
2023-11-03 14:52:41 -06:00 |
|
|
|
a4a7b9c500
|
formatting
|
2023-10-20 14:01:24 -06:00 |
|
|
|
1c4ab13f01
|
merge with current develop
|
2023-10-20 13:31:32 -06:00 |
|
|
|
201f8cda9a
|
more updates
|
2023-10-12 06:49:59 -06:00 |
|
|
|
c5b2d66283
|
upgrades to read/write data commands
|
2023-09-15 16:49:56 -06:00 |
|
|
|
30f7328841
|
more dump custom fields rotated
|
2023-09-14 16:00:25 -06:00 |
|
|
|
e5f3fcbbf4
|
more work on read_data and write_data
|
2023-09-13 13:29:37 -06:00 |
|
|
|
1ed8dd6906
|
add general triclinic options to dump custom
|
2023-09-04 15:26:55 -06:00 |
|
|
|
57f6526e53
|
code cleanup
|
2023-09-02 18:45:37 -06:00 |
|
|
|
8c3ab47fd6
|
more debugging for fcc example
|
2023-09-01 22:58:10 -06:00 |
|
|
|
40def67942
|
debugging
|
2023-09-01 17:46:52 -06:00 |
|
|
|
817a16b48c
|
work on create_atoms command
|
2023-09-01 14:38:22 -06:00 |
|
|
|
7462439b5d
|
mods to change_box
|
2023-09-01 12:15:51 -06:00 |
|
|
|
db72d4b73a
|
add general tri options to read and write data commands and Domain class
|
2023-08-31 14:34:37 -06:00 |
|
|
|
39f61b6af3
|
Merge branch 'develop' into pimd_langevin
|
2023-05-17 17:30:49 -04:00 |
|
|
|
03d6d54435
|
remove obsoleted Domain::minimum_image_once()
|
2023-03-31 17:53:56 -04:00 |
|
|
|
4d78d987c6
|
add unmap_inv function
|
2023-02-24 07:34:58 -05:00 |
|
|
|
27da716852
|
getting out of the insurance business :-)
|
2023-01-23 16:45:41 -05:00 |
|
|
|
8d9a4d86ba
|
flag member functions without side effect as const
|
2023-01-05 22:56:30 -05:00 |
|
|
|
7f4ebaf672
|
correct triclinic box check
|
2022-11-23 13:32:13 -05:00 |
|
|
|
13fcbeda18
|
remove "box" command
|
2022-11-21 13:46:59 -05:00 |
|
|
|
ae1b48b52b
|
use smaller maximum box count for maximum allowed distance
|
2022-11-17 14:15:30 -05:00 |
|
|
|
57e42a06af
|
make overloaded alias inline function
|
2022-11-16 10:02:02 -05:00 |
|
|
|
925a9a4bb3
|
use name in capitals for compile time constant
|
2022-11-16 09:59:02 -05:00 |
|
|
|
31972fc287
|
reduce redundant code. avoid Domain::minimum_image() getting "stuck".
|
2022-11-15 07:40:02 -05:00 |
|
|
|
ccea984c4c
|
expand pair_only_flag processing to also apply to other suffix handlers
|
2022-10-31 21:47:40 -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 |
|
|
|
67f6adebb7
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
|
|
22709b73e2
|
auto loop optimizations
|
2022-09-10 03:07:28 -04:00 |
|
|
|
69b32aef13
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
|
2022-08-27 10:12:58 -04:00 |
|
|
|
a0ffcd9811
|
can use member variables directly
|
2022-08-21 23:13:25 -04:00 |
|
|
|
3ec06dd2c2
|
improve some error messages in comm, domain and region.cpp
|
2022-08-19 21:06:00 +08:00 |
|
|
|
ff9c02f053
|
improved error messages in pair and input.cpp
|
2022-08-18 21:08:36 +08:00 |
|
|
|
9beb60c713
|
improve error messages in change_box,create_box,domain,input,lattice and neighbor.cpp
|
2022-08-18 11:22:36 +08:00 |
|
