b03bee49b3
Small tweak to fix warning
2023-11-27 11:48:42 -07:00
e15aef290d
Update atom_map_kokkos.cpp to fix overflow warning
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fix overflow compile warning while building KOKKOS package with -D LAMMPS_SIZES=bigbig:
/home/XXXX/lammps-2Aug2023/src/KOKKOS/atom_map_kokkos.cpp: In lambda function:
/home/XXXX/lammps-2Aug2023/src/KOKKOS/atom_map_kokkos.cpp:218:21: warning: overflow in conversion from ‘long int’ to ‘int’ changes value from ‘9223372036854775807’ to ‘-1’ [-Woverflow]
218 | int i_closest = MAXTAGINT;
| ^~~~~~~~~
2023-11-25 03:06:10 -05:00
4380806a30
Merge pull request #3987 from lammps/variable-ternary-function
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Add a ternary math function to equal- and vector- and atom-style variables
2023-11-25 02:56:27 -05:00
10f207b986
Merge pull request #3992 from akohlmey/linalg-lapack-3.12
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Update internal linear algebra library to LAPACK 3.12
2023-11-24 19:16:02 -05:00
239407c4eb
Merge pull request #3983 from stanmoore1/kk_update_4.2
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Update Kokkos library bundled in LAMMPS to v4.2
2023-11-24 18:51:39 -05:00
2a1af662d4
update to LAPACK 3.12
2023-11-24 15:29:14 -05:00
85ac2dc5fd
correct formatting of table
2023-11-22 19:52:44 -05:00
64573b7b32
add unit tests for new variable function
2023-11-22 19:47:51 -05:00
0db826ae77
whitespace
2023-11-22 19:39:29 -05:00
0dd19b2cbf
doc page update
2023-11-22 15:25:19 -07:00
eb6c101d94
add ternary math function
2023-11-22 09:49:11 -07:00
83f91d4ac7
Update docs
2023-11-21 18:50:13 -07:00
6b822c1d0e
Update CMake
2023-11-21 15:13:56 -07:00
3306b95589
Update Kokkos library in LAMMPS to v4.2
2023-11-21 15:02:12 -07:00
33dcfb5390
Merge pull request #3978 from akohlmey/next_patch_release
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Update version strings for 21 Nov 2023 feature release
2023-11-21 15:51:35 -05:00
fef0e0762b
Merge pull request #3981 from rbberger/update_cmake_codeowner
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Update CODEOWNERS, part 2
2023-11-21 14:27:07 -05:00
fc28fc318b
Update CODEOWNERS for cmake
2023-11-21 10:57:33 -07:00
92c5150034
Merge pull request #3979 from akohlmey/intel-fmtlib-workarounds
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Workaround for bug in C++17 support in Intel Classic compilers with fmtlib
2023-11-21 09:35:34 -05:00
ac90a4ac9c
reorder for cleaner dependency handling
2023-11-19 09:19:03 -05:00
6cd2055084
delete obsolete dependencies
2023-11-19 09:18:40 -05:00
bc692dce79
add missing entries
2023-11-19 09:18:17 -05:00
3c73882a68
update Purge.list and avoid redundant checks
2023-11-19 08:59:27 -05:00
de7f87621a
Merge pull request #3974 from stanmoore1/skip_trim
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Add trim option to skip neighbor list build styles
2023-11-19 07:02:40 -05:00
11305107d9
update release date to 21 November 2023
2023-11-19 05:40:05 -05:00
d60fb7067a
Merge branch 'develop' into next_patch_release
2023-11-19 05:31:41 -05:00
0487dc5331
copy intel C++17 compiler hack to Kokkos makefiles
2023-11-18 11:15:53 -05:00
2d4527d59a
tweak intel compiler makefile for traditional build
2023-11-18 07:14:38 -05:00
baa00d22e9
simplify
2023-11-18 06:22:25 -05:00
c66710934d
reduce warnings when compiling with intel classic compilers
2023-11-18 06:22:16 -05:00
be286d2c7d
lower the C++ standard to 14 for some files when compiling with intel classic compiler
2023-11-18 06:21:28 -05:00
6ae0715650
Merge pull request #3976 from akohlmey/collected-small-fixes
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Collected small fixes and updates
2023-11-18 00:03:37 -05:00
d1f3411db9
Merge branch 'develop' of github.com:lammps/lammps into skip_trim
2023-11-17 17:49:27 -07:00
be19b5c210
Make naming consistent
2023-11-17 12:46:45 -07:00
6fc7f5689b
Port changes to OPENMP package
2023-11-17 10:04:11 -07:00
06b962fc33
Bugfix: port missed changes from #3846
2023-11-17 09:50:03 -07:00
0083cc9e26
Port changes to OPENMP and INTEL packages
2023-11-17 09:12:43 -07:00
2c670e8d44
update version strings to 17 Nov 2023
2023-11-17 08:25:44 -05:00
5223f2dfb4
Merge remote-tracking branch 'akohlmey/numerial_propagation' into collected-small-fixes
2023-11-17 08:10:13 -05:00
ab183eb6e6
Merge remote-tracking branch 'github/develop' into collected-small-fixes
2023-11-17 08:09:58 -05:00
9a432341f9
Merge pull request #3970 from Yi-FanLi/numerial_propagation
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fix pimd/langevin: add support for plain integrators without normal mode transformation
2023-11-17 08:08:33 -05:00
a4da55942a
check if creating unix domain socket failed
2023-11-17 03:16:27 -05:00
e59a665943
add tests for immediate variables
2023-11-17 03:00:16 -05:00
ea8234a875
treat immediate variables like equal style also for evaluating references to computes and fixes
2023-11-16 22:08:00 -05:00
752088c410
Merge pull request #3975 from jibril-b-coulibaly/small_changes
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correct typo and link in body particles doc
2023-11-16 21:16:22 -05:00
d739faf971
disable if constexpr for all Intel compilers
2023-11-16 21:14:55 -05:00
98ba8706a5
Merge branch 'develop' of github.com:lammps/lammps into skip_trim
2023-11-16 16:28:47 -07:00
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
718cfc4562
Fix indexing bug
2023-11-16 16:19:44 -07:00
ddd5cc1a73
avoid segfault on command errors in force style unit tests and print error mesage instead
2023-11-16 17:53:12 -05:00
