aa7e2da33d
Misc small patches
2024-03-13 15:04:19 -06:00
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
35124fdef3
simplify and avoid direct access to the list of fixes in Modify
2024-01-21 11:50:29 -05:00
ae58fe2732
silence compiler warning
2023-12-14 15:30:13 -05:00
7679043793
Merge conflicts
2023-12-08 22:45:17 -07:00
41a5fbc025
ensure must_check is initialized
2023-12-01 20:14:22 -05:00
4608444ada
Add trim option to skip neighbor list build styles
2023-11-16 16:23:09 -07:00
6f366b8c74
Fix issues with sorting neigh list by cutoff distance
2023-11-16 16:21:59 -07:00
4f3162888b
remove debug code
2023-10-31 12:55:49 -04:00
36690a861d
correct and simplify
2023-10-27 16:33:24 -04:00
b9283cfcf6
modernize
2023-10-27 00:20:05 -04:00
9ba20864ca
Merge conflicts + intel
2023-10-22 22:34:33 -06:00
1571c96480
Adding triclinic patch (except for intel)
2023-10-22 21:52:43 -06:00
3fc809a1b9
add check for atom IDs when triclinic
2023-07-11 18:45:45 -07:00
b7024288b6
add check to disallow custom neighbor list cutoffs larger than the communication cutoff.
2023-06-29 21:20:07 -04:00
14462d8f80
join strings
2023-06-29 16:13:16 -04:00
b456beb62f
Reorganizing intel npair to work with cmake, adding intel stencil
2023-03-28 13:55:12 -06:00
7876fb7ee7
Fixing merge conflicts
2023-03-20 14:19:58 -06:00
120f5cf7f1
Minor patches to BPM, multi, and rigid
2023-03-16 15:20:18 -06:00
4b434c9a03
remove ifdefs
2023-03-08 18:40:29 -05:00
37f22c8627
Misc Improvements to GPU Package
...
- Optimizations for molecular systems
- Improved kernel performance and greater CPU overlap
- Reduced GPU to CPU communications for discrete devices
- Switch classic Intel makefiles to use LLVM-based compilers
- Prefetch optimizations supported for OpenCL
- Optimized data repack for quaternions
2023-03-05 21:03:12 -08:00
64b5ad8966
Merge branch 'develop' into amoeba-gpu
2023-01-24 20:22:59 -05:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
8af77c690c
Merge branch 'develop' into amoeba-gpu
2022-12-14 13:16:41 -06:00
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
082defa862
change neighbor list defaults to delay=0, every=1, check=yes
2022-10-14 04:38:30 -04:00
2ef6a59c0a
Merge branch 'develop' into amoeba-gpu
2022-10-01 00:38:24 -05:00
6fac8f1688
remove unused NeighRequest member variable index
2022-09-22 11:32:14 -04:00
211d5c468e
fixing merge conflicts
2022-09-15 14:49:21 -06:00
67f6adebb7
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
1d0db98403
Fixing merge conflicts
2022-09-03 12:35:32 -06:00
80257099de
Adding methods needed to efficiently create bonds
2022-08-30 10:58:55 -06:00
c7e4346558
only print neighbor list info if there are neighbor lists
2022-08-28 07:17:41 -04:00
ff9c02f053
improved error messages in pair and input.cpp
2022-08-18 21:08:36 +08:00
5a10b09005
Merge branch 'improve-errors' of github.com:crackboy88/lammps into improve-errors
2022-08-18 11:23:27 +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
1b979be939
Merge pull request #3392 from akohlmey/minimize-neighbor-check
...
Update test for neighbor list settings during minimization
2022-08-17 20:55:23 -04:00
92c9614429
Merge branch 'develop' into refactor-find-xxx
...
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
2022-08-17 15:48:26 -04:00
20b87d3cd4
Merge pull request #3398 from hammondkd/cite-reminders
...
Cite reminders
2022-08-17 15:40:35 -04:00
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
c2115c27e8
regularize a few citation reminders
2022-08-13 02:10:28 -04:00
98593b4ad5
Improved from last revision of neighbor.cpp
2022-08-13 08:35:20 +08:00
6d624b782d
made some changes on neighbor.cpp
2022-08-12 12:12:22 +08:00
871a6d5cf7
more consistent output format
2022-08-11 07:54:47 -04:00
b465d3c86f
silence compiler warnings about unused variables
2022-08-06 19:59:37 -04:00
62d0277f34
Merge pull request #3341 from stanmoore1/hybrid_cutoffs
...
Add pair_modify option to allow separate cutoffs for each neigh list …
2022-07-13 10:51:55 -04:00
5986c607d0
Add logic to only select intel/omp trim
2022-07-12 13:37:19 -06:00
