d905d3fbf5
reorganize build settings and presets
2022-05-22 17:46:12 -04:00
1959cd7037
download, build, and link missing png and zlib libraries with CMake
2022-05-22 17:45:42 -04:00
7d3d986d18
download, build, and link a missing jpeg library with CMake
2022-05-22 14:03:20 -04:00
cd8bef3b0b
enable and apply clang-format
2022-05-22 07:04:35 -04:00
9a973e67fa
enable and apply clang-format
2022-05-22 06:46:24 -04:00
b407b2f239
apply clang-format
2022-05-21 23:35:47 -04:00
93692ce308
Improved Windows and Visual Studio version detection
...
This now uses the CurrentBuild key to detect the Windows version and only falls back to product name, if that fails.
This is needed because Windows 11 reports itself as Windows 10 in the product name key.
2022-05-21 23:33:13 -04:00
007588f9cb
use GZIP executable variable name consistently
2022-05-21 18:56:58 -04:00
e3e849b266
skip compressed file format tests if gzip executable is not found
2022-05-21 07:37:25 -04:00
18df50356e
Merge pull request #3273 from stanmoore1/kk_mem
...
Initial refactor of view allocation in Kokkos package
2022-05-20 16:34:28 -04:00
c3ce77bc8c
improve energy scaling sanity checks
2022-05-20 16:33:46 -04:00
2b001f9505
Fix subdomain check for triclinic
2022-05-20 13:21:55 -06:00
a43b24781c
Merge branch 'develop' into mliappy_unified
2022-05-20 11:26:54 -06:00
9a322b5a2a
Update Al example script, add ghostneigh example
2022-05-20 11:09:59 -06:00
2044a9ef97
Change neigh_modify every to 20
2022-05-20 11:09:01 -06:00
ac3fc35482
Update InP example scripts
2022-05-20 11:08:32 -06:00
0b3c7514fa
Implement second interaction layer (ghost neighs)
2022-05-20 11:07:06 -06:00
2c5ce83d59
must set Output::next_dump_any to current step with rerun
2022-05-20 09:27:16 -04:00
7eb926c853
clarify the description of pair style none
...
explain that pair style none is effectively deleting any existing
pair style and that communication and neighbor list cutoff are affected.
update those explanations for changes to LAMMPS that allow adjusting
those not just with the neighbor list skin.
Also add that pair_coeff must not be used.
2022-05-20 07:14:05 -04:00
08b1034d54
enable and apply clang-format
2022-05-20 07:12:25 -04:00
a16974ca48
enable and apply clang-format
2022-05-20 06:51:36 -04:00
21c2f8a74b
fix miscalculated example
2022-05-20 01:06:21 -04:00
814daf7f4f
fix cut-n-paste error
2022-05-20 01:06:09 -04:00
bfb126ec7c
make neighbor list searches optionally check for the request ID
2022-05-19 23:37:55 -04:00
07e93a643a
spelling
2022-05-19 23:36:54 -04:00
13fc4f3588
must install wheel package before all other packages
2022-05-19 23:07:12 -04:00
36d091baeb
fix underline
2022-05-19 23:06:54 -04:00
4801fa00f8
update MathJax to latest bugfix release
2022-05-19 22:53:48 -04:00
872e4de6ab
Rolled back the Modine transpose
2022-05-19 23:21:15 +02:00
75df9d4f2c
Merge pull request #3271 from akohlmey/collected-small-changes
...
Collected small changes and fixes
2022-05-19 13:27:28 -04:00
a9431208a2
Use c++11 variadic magic, suggested by @weinbe2
2022-05-19 10:35:10 -06:00
7b0c7c04ed
address sphinx issues and make command list consistently list all min styles
2022-05-19 12:21:06 -04:00
2138aea01f
Merge branch 'two-command-tables' into collected-small-changes
2022-05-19 12:16:37 -04:00
7e75b7bff5
whitespace
2022-05-19 12:16:31 -04:00
5990241fbe
refactor min_style spin doc page
2022-05-19 09:13:47 -06:00
d8d6884def
Remove use_count check, reduce memory use in ReaxFF
2022-05-19 09:10:20 -06:00
eb4c1cd14f
update attempt to hide hwloc pci bus warnings
2022-05-19 07:28:57 -04:00
361e303177
fix cut-n-paste error
2022-05-19 04:14:31 -04:00
898eda794c
minor updates
2022-05-19 00:06:11 -04:00
5ac8e5639a
more information about compiling LAMMPS on windows
2022-05-19 00:06:00 -04:00
cb2126f313
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
2022-05-18 23:21:52 -04:00
0c73c9307f
Add configurations for Intel Compilers on Windows
2022-05-18 23:20:57 -04:00
c0a8458d89
remove unused class members
2022-05-18 22:06:31 -04:00
b5830aae83
suppress excessive warnings and undesired aborts with Intel LLVM compiler
2022-05-18 21:43:09 -04:00
06ad119844
Initial refactor of view allocation in Kokkos package
2022-05-18 17:15:36 -06:00
fa6c81849b
split Command table into two tables
2022-05-18 16:26:58 -06:00
15eebd43b9
address some NOTE comments
2022-05-18 15:47:43 -06:00
d323b7817d
put back some whitespace
2022-05-18 14:59:15 -04:00
eb3ee96b9c
also apply 2 atom minimum to balance() and packing atom IDs
2022-05-18 14:22:43 -04:00
bfd6efcedb
no need to sort dump if there are less than 2 atoms
2022-05-18 13:48:06 -04:00
