|
|
396d577f40
|
port DPD exclusions corrections to GPU package
|
2023-01-02 12:04:10 -05:00 |
|
|
|
281e67d6fb
|
Merge branch 'develop' into distributed-grids
|
2022-12-14 18:12:10 -05:00 |
|
|
|
8248b5bc18
|
Merge branch 'develop' of github.com:lammps/lammps into distributed-grids
|
2022-12-13 13:00:31 -07:00 |
|
|
|
b0accb4ebf
|
replace atoi() with suitable utility functions
|
2022-12-09 16:56:17 -05:00 |
|
|
|
6fe8b84c23
|
correct updating Makefile.package.setting edits, fix a few broken ones.
|
2022-11-30 19:31:00 -05:00 |
|
|
|
cc18528ea1
|
more bookkeeping changes
|
2022-11-30 10:56:54 -07:00 |
|
|
|
b4118c51cc
|
merged in current master
|
2022-11-04 08:22:18 -06:00 |
|
|
|
e0181e8c46
|
refactor handling of pair/only flag for GPU and KOKKOS
|
2022-10-28 16:38:11 -04:00 |
|
|
|
248b7383c7
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
|
2022-10-24 15:50:50 -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 |
|
|
|
2eb125d893
|
change warning message and get the comm cutoff properly
|
2022-10-12 16:18:56 -04:00 |
|
|
|
3bf0595078
|
Increase communication cutoff for TIP4P pair styles, if needed
This avoids error of H atom not found when the O atom is a ghost.
|
2022-10-12 16:16:09 -04:00 |
|
|
|
78c2626e4b
|
improve warning messages
|
2022-10-12 10:43:06 -04:00 |
|
|
|
e2df4ed2a7
|
Merge branch 'develop' into distributed-grids
# Conflicts:
# doc/src/Developer_utils.rst
# doc/src/dump.rst
# doc/src/fix_ave_chunk.rst
# src/utils.h
|
2022-09-12 18:31:29 -04:00 |
|
|
|
67f6adebb7
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
|
|
7e6bd892ed
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
|
|
3e21738698
|
finish merge of develop
|
2022-08-29 17:07:49 -06:00 |
|
|
|
546d5a9a2d
|
Rewrite cell_size w/o sqrt
|
2022-08-25 18:11:43 +03:00 |
|
|
|
8d77c1daee
|
Merge remote-tracking branch 'origin/develop' into tip4p_cornercase
|
2022-08-25 17:58:17 +03:00 |
|
|
|
da3e723351
|
Merge branch 'develop' into distributed-grids
|
2022-08-18 15:10:44 -04:00 |
|
|
|
e2f2663df2
|
more changes from GridComm to Grid3d in packages
|
2022-08-17 10:08:34 -06:00 |
|
|
|
35c7911808
|
One minor typo in fix_gpu.cpp; still trying to figure out what's tripping the non-compile elsewhere
|
2022-08-13 17:49:39 -05:00 |
|
|
|
a9c68db3ac
|
Found three remaining typos; I think we should be OK now
|
2022-08-13 17:31:03 -05:00 |
|
|
|
29e1595fb4
|
Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
|
2022-08-13 04:51:54 -05:00 |
|
|
|
e66a4b2423
|
Changed a few; now pulling new ones from commit c2115c2 so I do not replicate
|
2022-08-13 01:32:49 -05:00 |
|
|
|
a829d607ce
|
work around issues with Intel compilers compiling the GPU package
|
2022-07-16 10:26:56 -04:00 |
|
|
|
116098022f
|
changed file names and added a lj12-5 function type in GPU pkg.
|
2022-07-08 18:04:04 +09:00 |
|
|
|
4b2509beed
|
Merge branch 'develop' into tip4p_bug
|
2022-05-30 18:54:28 +03:00 |
|
|
|
9b73c66ec6
|
Reduce increased comm cutoff
|
2022-05-30 18:44:53 +03:00 |
|
|
|
d8f8a3a36a
|
Handle inconsistent J molecules in tip4p/gpu
|
2022-05-28 00:24:24 +03:00 |
|
|
|
d4ea5ca49e
|
more clang-tidy fixes after re-running it with added settings
|
2022-05-14 07:18:05 -04:00 |
|
|
|
940e88d2ca
|
more clang-tidy fixes
|
2022-05-13 21:12:48 -04:00 |
|
|
|
78c10bac4a
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
|
|
115962db88
|
Merge branch 'develop' into remove-error-docs-in-header
|
2022-04-23 12:46:54 -04:00 |
|
|
|
79a7d2abf6
|
remove error docs from header files
|
2022-04-22 23:31:15 -04:00 |
|
|
|
69d9c5187e
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
|
|
d6f7570d57
|
avoid redundant use of boolean literals
|
2022-04-10 20:47:31 -04:00 |
|
|
|
200b4f13c7
|
use dynamic cast instead of c-style cast when casting from base type to derived class
|
2022-04-10 18:18:06 -04:00 |
|
|
|
39b316729b
|
use auto type when assigning from cast or using new
|
2022-04-10 18:16:36 -04:00 |
|
|
|
413a01ade5
|
apply clang-tidy updates
|
2022-04-10 12:07:54 -04:00 |
|
|
|
1aa8b64283
|
convert GPU package styles to use new neighbor list request API
|
2022-03-08 04:37:46 -05:00 |
|
|
|
4c0192cae1
|
rename forward communication functions for pair, fix, compute, and dump
|
2022-02-21 21:15:10 -05:00 |
|
|
|
eb2fe7d982
|
correct inconsistent prototypes
|
2022-02-11 23:37:40 -05:00 |
|
|
|
06beb28d7d
|
Apply override to Pair classes
|
2022-01-21 16:13:49 -05:00 |
|
|
|
ff3f762499
|
Apply override to Fix classes
|
2022-01-21 14:45:53 -05:00 |
|
|
|
5e37f9d5a7
|
Apply override to KSpace classes
|
2022-01-20 17:14:33 -05:00 |
|
|
|
88b42503f9
|
address segfault issue with fix nve/gpu when group is not "all"
|
2021-12-29 14:06:22 -05:00 |
|
|
|
0931da9cad
|
Cleaned up comments in fix_gpu.cpp
|
2021-11-20 08:38:13 -06:00 |
|
|
|
a06c4767a0
|
Merge branch 'upstream' into gpu-newton-pair-on
|
2021-11-20 08:30:39 -06:00 |
|
