fad47312e6
Update from upstream
2022-01-31 16:31:46 -07:00
1b6f850d42
Prepared for implementation
2022-02-01 00:17:21 +01:00
91614b64d2
Update from upstream
2022-01-31 15:42:05 -07:00
a6a2492282
Merge pull request #3082 from stanmoore1/reax_count
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Improve PairReaxFFKokkos neigh list algorithm
2022-01-31 17:26:25 -05:00
b2916339a4
Add NeedDup_v and AtomicDup_v helpers to KOKKOS
2022-01-31 13:42:03 -05:00
a124ee4f44
Merge pull request #2233 from charlessievers/OptimizedDynamicalMatrix
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Dynamical_matrix and third_order features+update
2022-01-31 12:57:28 -05:00
dd416f61b5
Rename function to avoid warning
2022-01-31 10:47:56 -07:00
cfd720e1fc
Remove another volatile return type to avoid warning
2022-01-31 09:58:44 -07:00
5d28d06a3c
Fix compiler warning
2022-01-31 09:47:32 -07:00
f537a31c19
Unify comment style
2022-01-31 09:25:25 -07:00
5142d8e968
Merge remote-tracking branch 'origin/develop' into kokkos_cleanup
2022-01-31 11:04:41 -05:00
9a81dc58a1
Merge remote-tracking branch 'origin/develop' into kokkos_unittests
2022-01-31 11:04:18 -05:00
b7c8ab639c
Dummy change
2022-01-30 16:44:35 -07:00
7a14cf765f
Fixed silent error in albe[][]
2022-01-30 16:34:49 -07:00
c09e3c0890
Updated documentation
2022-01-30 16:27:33 -07:00
fb2f7f1b99
Merge branch 'Elastic_stress' of github.com:athomps/lammps into Elastic_stress
2022-01-30 16:19:20 -07:00
d79a96caae
Updated documentation
2022-01-30 16:18:34 -07:00
cc9c578006
Got all the pieces in, now just need to get the right answer
2022-01-30 15:52:16 -07:00
d80ba0d57a
Merge branch 'develop' into mpi-stubs-simplify
2022-01-30 17:19:26 -05:00
7ee7d0c570
apply clang-format
2022-01-30 17:18:40 -05:00
3707b327c0
improve portability of python result value string conversion
2022-01-30 16:52:38 -05:00
a8a76dbbe2
port python module and package tests to be windows compatible. refactor environment processing
2022-01-30 16:48:47 -05:00
2e39971cbc
re-enable python module tests on windows
2022-01-30 16:48:11 -05:00
579ac61b5b
refactor environment variable settings. make windows compatible
2022-01-30 16:47:52 -05:00
fea41d5458
make windows compatible
2022-01-30 16:47:17 -05:00
0f85809acf
Created branch on athomps/lammps repo
2022-01-30 12:37:33 -07:00
af8d1bd768
fix typo
2022-01-30 09:00:39 -05:00
65b198f986
Revert "temporarily switch repo and branch to run on"
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This reverts commit 213259b732
2022-01-30 08:48:52 -05:00
4b22962ec1
roll back MPI target alias change one more time. must wait until CMake 3.11 or later is minimum
2022-01-30 08:47:46 -05:00
f8a4006da7
must promote imported target to global scope in order to be able to alias it
2022-01-30 08:32:21 -05:00
dc0e013297
create alias target MPI::ANY_CXX to be used instead of MPI::MPI_CXX
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With this alias it is possible to transparently refer to either the
real imported MPI library or to the MPI stub library. this further
reduced the need for if statements related to MPI. Some uses of
MPI::MPI_CXX remain but they are all in branches of the script code
where BUILD_MPI is enabled and thus the imported target will be present.
2022-01-30 07:48:16 -05:00
99cb494594
remove automatic generated tag
2022-01-30 07:08:15 -05:00
b17d8b4494
add building and running unit tests
2022-01-30 05:54:35 -05:00
213259b732
temporarily switch repo and branch to run on
2022-01-30 05:54:21 -05:00
4bb7457d6e
add option to allow skipping tests by setting a no${CMAKE_SYSTEM_NAME} tag
2022-01-30 05:14:57 -05:00
923b0cfc46
allow to override the LAMMPS dll location on windows
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this is to work around the situation that windows
has no equivalent to LD_LIBRARY_PATH (short of augmenting %PATH%,
which is tricky for CMake before 3.20)
2022-01-30 05:13:17 -05:00
a8632d5cb6
always have the lib prefix on the LAMMPS library (windows may drop it on the .dll file)
2022-01-30 05:11:32 -05:00
ebeb29adf6
skip python folder tests for now on windows
2022-01-29 21:34:51 -05:00
6ff157a099
use quoting to avoid issues with blanks and special characters
2022-01-29 21:05:19 -05:00
33be5ff0b4
allow that the include command may have quoted arguments with variables
2022-01-29 21:04:59 -05:00
cc0d91b222
re-add copies of linked files
2022-01-29 21:01:49 -05:00
571821694e
remove links broken on windows
2022-01-29 21:01:35 -05:00
02cadf1b71
port to windows where text file reading may gobble up carriage returns
2022-01-29 20:53:17 -05:00
6c98915a9c
port to windows
2022-01-29 20:52:37 -05:00
0bfc5269dd
fix mismatches causing failures on windows
2022-01-29 20:52:25 -05:00
9014664c13
really fix unit test regexes for windows
2022-01-29 19:07:35 -05:00
c420f804d9
make multi-line regex checks compatible with googletests Windows regex syntax
2022-01-29 18:52:49 -05:00
a1d186b5fa
Merge pull request #3105 from athomps/numdiff-stress
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Add new numdiff/virial fix style
2022-01-29 18:37:57 -05:00
cd5d1f8a30
reformat
2022-01-29 18:13:01 -05:00
9323a09b39
reduce number of reported memory leaks with google test death tests
2022-01-29 18:12:53 -05:00
