6b3ddb8a72
fix logic bug
2021-10-31 19:29:12 -04:00
2e72d6b5a5
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-31 18:25:42 -04:00
bbbde3cc15
fix indexing bug
2021-10-31 18:10:32 -04:00
3887b08c1d
update new LAMMPS paper citation info
2021-10-31 18:10:32 -04:00
64764cc7b0
clarify the difference between C++ and Fortran versions of MEAM
2021-10-31 18:10:31 -04:00
4f0f791417
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
c5d6a310d8
Fixed cmake build script for QUIP in cases where MATH_LINKOPTS variable not set
2021-10-29 11:32:03 +02:00
4395530756
bugfix
2021-10-28 23:38:32 -04:00
ac4f2b2a32
use updated APIs
2021-10-28 23:25:04 -04:00
212d699078
implement Domain::get_region_by_id()
2021-10-28 23:24:38 -04:00
b15c02e3cd
Merge pull request #3012 from akohlmey/reserved_data_section_keywords
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Check for reserved data section keywords - update fix processing for data files
2021-10-28 19:52:27 -04:00
ed5c0e74d4
Merge pull request #3011 from stanmoore1/kk_bug
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Revert some changes in 7960a2d
2021-10-28 19:50:27 -04:00
9ae05facb8
Updating file locations to master locations
2021-10-28 16:32:04 -07:00
440a517a5e
update fix rigid + property/atom example to avoid runtime failure
2021-10-28 17:01:12 -04:00
7dbbb9a0e6
refactor fix cmap to use current style and modernized parsing
2021-10-28 16:54:53 -04:00
adf1beea74
add mechanism to check for known data file section names
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using this mechanism we can reject custom section names that will
conflict with existing section names and thus avoid misleading errors.
apply this also to fix property atom, where the section name is
determined by the fix ID.
in addition, allow to specify NULL as section name, which will use
the fix ID.
2021-10-28 14:23:27 -04:00
e734eb837f
Revert some changes in 7960a2d7d2
2021-10-28 08:39:17 -06:00
608ad0bca0
Merge branch 'lammps:develop' into intpos
2021-10-28 09:48:17 +01:00
c8512249b7
Merge branch 'develop' into modify-fix-compute-accessors
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# Conflicts:
# src/PLUGIN/plugin.cpp
2021-10-27 21:14:05 -04:00
4a048e3f57
Merge pull request #3008 from akohlmey/next_patch_release
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Update version strings for next patch release
2021-10-27 20:19:33 -04:00
f72b532f0f
Merge pull request #3009 from rbberger/collected_small_changes
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Collected small changes
2021-10-27 19:31:22 -04:00
95d08c6667
update all makefiles to use DYN_LIB variable from master makefile
2021-10-27 17:41:16 -04:00
18a7c15441
forward DYN_LIB variable to Makefile.mpi
2021-10-27 17:21:38 -04:00
9424571ce2
Use correct sizeof in memset
2021-10-27 17:01:03 -04:00
153e77864d
Use LAMMPS_THIRDPARTY_URL variable for EIGEN3_URL
2021-10-27 16:45:08 -04:00
4ea848b4e9
Merge pull request #3002 from akohlmey/more-clang-tidy-refactoring
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Third chunk of semi-automatic refactoring with clang-tidy
2021-10-27 16:38:28 -04:00
2e9cdfa6dc
Merge remote-tracking branch 'origin/develop' into collected_small_changes
2021-10-27 16:38:01 -04:00
51bd05bb77
Make update_downloads.sh detect new URLs and report error
2021-10-27 16:33:21 -04:00
addb087aac
Merge branch 'lammps:develop' into intpos
2021-10-27 21:29:56 +01:00
c9da75ef85
Merge pull request #2968 from yury-lysogorskiy/feature/ml-pace-multispecies
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Add multi-species support to ML-PACE package
2021-10-27 16:04:15 -04:00
a329de81bf
Update source URLs for offline compilation tool
2021-10-27 15:56:28 -04:00
28d86578a3
update version strings for next patch release
2021-10-27 15:26:58 -04:00
da3115be2c
Merge branch 'develop' into more-clang-tidy-refactoring
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# Conflicts:
# src/MANIFOLD/manifold_thylakoid.cpp
2021-10-27 15:23:57 -04:00
bd053d6841
Merge pull request #3004 from akohlmey/collected_small_changes
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Collected small changes and bugfixes for the next patch release
2021-10-27 14:24:37 -04:00
b5e3d69c82
change downloaded archive name to more closely follow the confvention
2021-10-27 14:23:53 -04:00
c0c45be357
bugfix Fedora CMake compilation
2021-10-27 17:19:18 +02:00
9895d8436a
update/clean downloading the ML-PACE/v.2021.10.25.tar.gz
2021-10-27 16:03:44 +02:00
a063209b2b
update URL and filename for offline scripts
2021-10-27 08:31:36 -04:00
c911cd52bb
whitespace
2021-10-27 08:24:07 -04:00
11ee3759df
use consistent formatting
2021-10-27 08:22:18 -04:00
4957c8e382
Merge branch 'develop' into collected_small_changes
2021-10-27 08:20:19 -04:00
cc3349728b
Merge pull request #2997 from stanmoore1/kk_omp_target
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Add preliminary support for Kokkos OpenMPTarget backend
2021-10-27 08:15:45 -04:00
45359847f2
Merge pull request #3007 from masterleinad/avoid_retrict_icpx
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Don't use -restrict for icpx
2021-10-27 08:10:09 -04:00
1247f4d67b
add function to print information about available compressions tools
2021-10-26 20:00:55 -04:00
f0318fb874
try to make changing LMP_INC settings less confusing to inexperienced people
2021-10-26 19:16:13 -04:00
3376f3daa8
Remove unused import
2021-10-26 16:48:57 -04:00
008013ddfb
Explicitly check for None
2021-10-26 15:19:46 -04:00
fe9dfc6095
follow Python style guidelines
2021-10-26 14:17:31 -04:00
3d9e4638a7
Don't use -restrict for icpx
2021-10-26 13:08:03 -04:00
3044923cbf
less ambiguous tests for arguments being not None
2021-10-26 12:12:21 -04:00
