|
|
e745c8aac4
|
Merge pull request #3446 from akohlmey/next-patch-release
Update versions strings for the next patch release
patch_15Sep2022
|
2022-09-15 12:33:37 -04:00 |
|
|
|
3bf7712edf
|
Merge pull request #3444 from lammps/sticker-bond-test
Fix bond/swap upgrade with more randomization of bond selection
|
2022-09-15 11:11:23 -04:00 |
|
|
|
3770c02752
|
fix typo
|
2022-09-15 09:22:20 -04:00 |
|
|
|
5f2445f215
|
Merge branch 'develop' into sticker-bond-test
|
2022-09-15 09:20:58 -04:00 |
|
|
|
c31542fecb
|
Merge pull request #3369 from lammps/fix-pair-dump-skip
Fix pair plus dump skip
|
2022-09-15 09:06:37 -04:00 |
|
|
|
aae96b9cb0
|
fix multiple typesetting issues and make consistent
|
2022-09-14 23:26:01 -04:00 |
|
|
|
2997fff361
|
update version strings
|
2022-09-14 16:48:33 -04:00 |
|
|
|
69034167b8
|
update versions strings for the next patch release
|
2022-09-14 16:29:10 -04:00 |
|
|
|
a52c4a5537
|
improve error messages
|
2022-09-14 14:35:57 -04:00 |
|
|
|
e415eddee5
|
spelling and improved consistency with other doc pages
|
2022-09-14 14:34:45 -04:00 |
|
|
|
15bc70ae4d
|
Merge branch 'develop' into fix-pair-dump-skip
|
2022-09-14 14:01:42 -04:00 |
|
|
|
83224f631d
|
Merge pull request #3445 from akohlmey/doc-fixes
Reorder punctuation and quotation characters in manual for clarity
|
2022-09-14 13:58:28 -04:00 |
|
|
|
5da958ade2
|
Merge remote-tracking branch 'github/develop' into doc-fixes
|
2022-09-13 12:25:33 -04:00 |
|
|
|
88a85f39fb
|
Merge pull request #3436 from lammps/fix-gcmc-with-latte
Enable fix gcmc to work with fix latte when deleting atoms/molecules
|
2022-09-13 12:24:50 -04:00 |
|
|
|
fe4f7bd467
|
spelling
|
2022-09-13 11:43:09 -04:00 |
|
|
|
7e8aa8b04a
|
Merge branch 'fix-gcmc-with-latte' of github.com:lammps/lammps into fix-gcmc-with-latte
|
2022-09-13 11:39:25 -04:00 |
|
|
|
f3fa246179
|
update LATTE package examples
|
2022-09-13 11:39:16 -04:00 |
|
|
|
56304fe939
|
move check for Fortran Compiler validity
|
2022-09-13 11:24:20 -04:00 |
|
|
|
5a218609dd
|
Merge branch 'fix-gcmc-with-latte' of github.com:lammps/lammps into fix-gcmc-with-latte
|
2022-09-13 09:17:58 -06:00 |
|
|
|
b34d45644e
|
update fix latte doc page
|
2022-09-13 09:17:50 -06:00 |
|
|
|
197ce9187e
|
small programming style updates
|
2022-09-13 06:31:49 -04:00 |
|
|
|
7dd95db474
|
fix typo
|
2022-09-13 06:22:41 -04:00 |
|
|
|
526cc1566e
|
cosmetic
|
2022-09-13 06:13:37 -04:00 |
|
|
|
446cc46bbd
|
spelling
|
2022-09-12 19:10:18 -04:00 |
|
|
|
cc2b6a3565
|
reorder punctuation and quotation characters for clarity
|
2022-09-12 19:02:46 -04:00 |
|
|
|
abfdb5bca3
|
whitespace
|
2022-09-12 18:33:27 -04:00 |
|
|
|
893586c8eb
|
Merge branch 'develop' into fix-pair-dump-skip
|
2022-09-12 18:19:12 -04:00 |
|
|
|
170e657bde
|
Merge branch 'develop' into fix-gcmc-with-latte
|
2022-09-12 18:15:51 -04:00 |
|
|
|
f68b50b5c1
|
Merge branch 'develop' into sticker-bond-test
|
2022-09-12 18:15:24 -04:00 |
|
|
|
23595aa851
|
Merge pull request #3442 from akohlmey/collected-small-changes
Collected fixes and small changes for the next patch release
|
2022-09-12 18:14:40 -04:00 |
|
|
|
7a97b25c8d
|
must link with -lgfortran when using flang
|
2022-09-12 17:02:06 -04:00 |
|
|
|
60e172c18c
|
disable assertion to avoid bogus warning from some compilers
|
2022-09-12 17:01:31 -04:00 |
|
|
|
5e3adfa710
|
trigger newsystem in LATTE if atom count changes - e.g. fix gcmc
|
2022-09-12 14:40:10 -06:00 |
|
|
|
3e51cfc4d1
|
avoid ambiguous variable override with due to for scoping
|
2022-09-12 16:27:54 -04:00 |
|
|
|
44b8eee180
|
updated README file from @sjplimp
|
2022-09-12 16:19:34 -04:00 |
|
|
|
1abfec066c
|
update MDI library version to 1.4.11
|
2022-09-12 12:30:34 -04:00 |
|
|
|
58d6e0d440
|
add note to doc page about sticker site model
|
2022-09-12 09:41:29 -06:00 |
|
|
|
572e8cc399
|
random permulations of both I and J atoms in double loop
|
2022-09-12 09:18:06 -06:00 |
|
|
|
ed0af32fce
|
properly initialize Atom class member and avoid side effects during write data
|
2022-09-11 22:11:22 -04:00 |
|
|
|
34714dba29
|
improve error messages
|
2022-09-11 22:10:50 -04:00 |
|
|
|
c235cbee71
|
sync with lammps-testing and update plumed version consistently.
|
2022-09-11 01:07:22 -04:00 |
|
|
|
e9f0f371b8
|
update prompt variable
|
2022-09-10 21:05:02 -04:00 |
|
|
|
b86232ac5b
|
add container definition for almalinux 9
|
2022-09-10 21:00:14 -04:00 |
|
|
|
7e921b5e24
|
Merge branch 'define_nv_restrict' of github.com:Vsevak/lammps into collected-small-changes
|
2022-09-10 19:53:20 -04:00 |
|
|
|
e45fa36717
|
improve error messages
|
2022-09-10 19:47:28 -04:00 |
|
|
|
67f6adebb7
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
|
|
9b172d66f8
|
recover non-labelmap functionality with Kokkos. Error out when maps are used with Kokkos
|
2022-09-10 12:50:45 -04:00 |
|
|
|
f62746fc66
|
Fix noalias definition so that it compiles with nvc++
|
2022-09-10 13:28:25 +03:00 |
|
|
|
44e983f641
|
more dump tests
|
2022-09-10 04:54:48 -04:00 |
|
|
|
f36c900b6d
|
fix memory buffer size issue when using dump_modify image for dump style atom
|
2022-09-10 04:54:37 -04:00 |
|
