|
|
845ab2dd71
|
On Windows the Regex matcher for '.' does not match '\n'
Thus we have to use ContainsRegex instead of MatchesRegex
|
2022-01-29 16:35:30 -05:00 |
|
|
|
d62e25decc
|
don't specify default working directory for tests explicitly
|
2022-01-29 11:10:23 -05:00 |
|
|
|
dad72a612a
|
correct statement (PPPM **does** support triclinic for a while already)
|
2022-01-29 08:18:08 -05:00 |
|
|
|
481bcfcd14
|
spelling
|
2022-01-29 08:12:28 -05:00 |
|
|
|
ee98f023b6
|
enable and apply clang-format
|
2022-01-29 08:02:59 -05:00 |
|
|
|
17960c8183
|
use constexpr instead of const
|
2022-01-29 07:56:11 -05:00 |
|
|
|
9427eb800f
|
add missing "override"
|
2022-01-29 07:55:58 -05:00 |
|
|
|
c1185acad7
|
enable and apply clang-format
|
2022-01-29 07:52:06 -05:00 |
|
|
|
d6fa3a08cd
|
roll back library aliasing changes as that negatively interferes with unit tests
|
2022-01-28 21:54:32 -05:00 |
|
|
|
8423ecb211
|
small tweaks to make things work with the new settings
|
2022-01-28 21:28:37 -05:00 |
|
|
|
7978bf671d
|
use canonical syntax for adding tests
|
2022-01-28 21:12:13 -05:00 |
|
|
|
5c0c3df035
|
make use of CMAKE_(RUNTIME|LIBRARY)_OUTPUT_DIRECTORY
|
2022-01-28 21:10:30 -05:00 |
|
|
|
fbecf0051e
|
Merge remote-tracking branch 'upstream/develop' into numdiff-stress
|
2022-01-28 18:36:27 -07:00 |
|
|
|
a9481733a0
|
Finished debugging, testing, documenting
|
2022-01-28 18:34:30 -07:00 |
|
|
|
c28b7c586a
|
Residual Merge Conflict
|
2022-01-28 14:59:07 -08:00 |
|
|
|
6258cf1b9d
|
Fixed merge conflict
|
2022-01-28 14:49:13 -08:00 |
|
|
|
e8ce01079d
|
whitespace
|
2022-01-28 17:20:32 -05:00 |
|
|
|
f6d0be1257
|
avoid integer overflow due to precedence
|
2022-01-28 17:08:16 -05:00 |
|
|
|
96502ae49d
|
whitespace
|
2022-01-28 17:07:03 -05:00 |
|
|
|
1d51f2d151
|
must not access invalid/uninitialized data
|
2022-01-28 16:57:58 -05:00 |
|
|
|
2a3a7c387b
|
Merge pull request #3103 from tc387/CR-update
fixed ewald self-energy update and updated documentation
|
2022-01-28 16:37:11 -05:00 |
|
|
|
e5b129fe8d
|
Grow exponentially to resize less
|
2022-01-28 13:35:09 -07:00 |
|
|
|
41c1c64be9
|
Merged with deveop branch
|
2022-01-28 20:27:38 +00:00 |
|
|
|
e76c8bbaa3
|
spelling
|
2022-01-28 14:52:31 -05:00 |
|
|
|
4225c6c288
|
whitespace
|
2022-01-28 14:48:34 -05:00 |
|
|
|
9feec51590
|
Merge branch 'develop' of https://github.com/lammps/lammps into reax_count
|
2022-01-28 12:32:37 -07:00 |
|
|
|
d6a6f64576
|
Merge pull request #3090 from rbberger/modernize_use_override
Modernize to C++11: use override
|
2022-01-28 14:10:45 -05:00 |
|
|
|
17cb137f3e
|
Merge branch 'master' into OptimizedDynamicalMatrix
|
2022-01-28 11:08:31 -08:00 |
|
|
|
bb89347bac
|
Fixed kspace issue and added suggested runtime check for intel accelerator
|
2022-01-28 11:06:29 -08:00 |
|
|
|
7aa17fbdf7
|
Merge branch 'develop' of github.com:lammps/lammps into reax_count
|
2022-01-28 11:58:50 -07:00 |
|
|
|
d3c45d3389
|
Removed whitespace
|
2022-01-28 17:58:00 +00:00 |
|
|
|
ef96b51a25
|
Merge branch 'deform-rebuild-rigid' into mpi-stubs-simplify
|
2022-01-28 05:44:43 -05:00 |
|
|
|
db4e69bf38
|
further simplification by making STUBS an interface and alias to MPI::MPI_CXX
|
2022-01-28 01:00:37 -05:00 |
|
|
|
ac815fdfba
|
use improved accessors for fixes
|
2022-01-27 22:16:43 -05:00 |
|
|
|
e4fe0a37a1
|
fixed ewald self-energy update and updated documentation
|
2022-01-27 16:48:22 -06:00 |
|
|
|
cd8b674f4b
|
expand path to include LAMMPS shared lib
|
2022-01-27 17:46:18 -05:00 |
|
|
|
0bf941219f
|
silence compiler warnings
|
2022-01-27 17:21:50 -05:00 |
|
|
|
d391ae845b
|
convert static class members with git info to functions to simplify auto-export on Windows
|
2022-01-27 17:20:05 -05:00 |
|
|
|
265588d480
|
Reduce differences between original pair hybrid and kokkos variant
|
2022-01-27 16:14:46 -05:00 |
|
|
|
62ff23abe7
|
simplify building serial executables by incorporating the STUBS/mpi.o object in LAMMPS library
|
2022-01-27 15:59:48 -05:00 |
|
|
|
735d6926a1
|
Update to KK tersoff styles for consistent nofdotr
Inspired by f82096c46c
|
2022-01-27 14:36:45 -05:00 |
|
|
|
b3647d8e94
|
Add missing override keywords
|
2022-01-26 16:16:53 -05:00 |
|
|
|
a6ef114bfb
|
Ensure both Python Interpreter and Development header version match
|
2022-01-26 15:27:36 -05:00 |
|
|
|
293f4eb0ed
|
Add Python 3.10 to detection
|
2022-01-26 15:21:57 -05:00 |
|
|
|
2ed8e5cf02
|
Use setuptools instead of distutils in setup.py
distutils will be removed soon (Python 3.12)
|
2022-01-26 14:58:28 -05:00 |
|
|
|
415476983d
|
Merge branch 'develop' into cg-dna
|
2022-01-26 19:31:48 +00:00 |
|
|
|
9b6bb00d07
|
Added unit test for atom_style oxdna
|
2022-01-26 19:20:34 +00:00 |
|
|
|
d51017ff50
|
Merge pull request #3095 from akohlmey/collect-small-changes
Collected small changes and fixes
|
2022-01-26 12:04:44 -05:00 |
|
|
|
d861dbe8e0
|
Remove unused variable
|
2022-01-26 11:37:53 -05:00 |
|
|
|
71a373cadb
|
reshuffle Body struct members and add dummy for better alignment
|
2022-01-26 10:46:19 -05:00 |
|
