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cab260f3ab
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cmake: fix mpi default on Windows
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2020-04-03 09:57:14 -06:00 |
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b83c98db14
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USER-INTEL.cmake: clean up, create imported targets
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2020-04-03 09:50:28 -06:00 |
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a2353dfc50
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cmake: removed unused FindTBB.cmake
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2020-04-03 09:25:09 -06:00 |
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bdc83020f0
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cmake:LAMMPS::MPI -> MPI::MPI_CXX
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2020-04-03 09:24:47 -06:00 |
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8bcdc86d0f
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properly pass --enable-stdcall-fixup when linking on windows with mingw cross-compiler
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2020-04-03 10:16:20 -04:00 |
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2df524d782
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USER-INTEL.cmake: fix TBB_MALLOC warning
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2020-04-03 07:23:03 -06:00 |
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e53e443e21
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add singularity description file for Ubuntu 20.04 LTS
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2020-04-02 21:52:20 -04:00 |
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8b61aed3cb
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update/order list of require texlive packages
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2020-04-02 21:51:52 -04:00 |
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c8481e620d
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set C locale
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2020-04-02 19:41:00 -04:00 |
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d4fbeccb2b
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add latex support
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2020-04-02 19:40:29 -04:00 |
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1e224611ca
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Add preliminary CMake support to GPU HIP port
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2020-04-02 17:59:45 -04:00 |
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2ef4c4166d
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update container definitions for building documentation
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2020-04-02 17:48:17 -04:00 |
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ce80cae5c4
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update list of false positives for ubuntu 16.04
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2020-04-02 17:42:11 -04:00 |
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3f630f799e
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fix up non-ascii characters so doc tools can work with LC_ALL=C
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2020-04-02 17:29:42 -04:00 |
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237c8f0bec
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improve portability to older python versions
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2020-04-02 17:13:19 -04:00 |
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a9dad3d46c
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test for PDFLaTeX and update README
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2020-04-02 14:31:47 -04:00 |
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1ec91bc214
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Add CMake function GenerateBinaryHeader to replace xxd steps
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2020-04-02 14:22:04 -04:00 |
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9e563da3eb
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USER-PLUMED.cmake: use imported targets
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2020-04-02 11:38:18 -06:00 |
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9397e11c6f
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fix issue in README file
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2020-04-02 13:29:37 -04:00 |
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96a3ede4f4
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2020-04-02 13:29:28 -04:00 |
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a68656567f
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Merge pull request #1975 from rbberger/more_singularity_containers
More Singularity container definitions
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2020-04-02 10:56:13 -04:00 |
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96202ccf56
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remove trailing whitespace
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2020-04-01 20:27:43 -04:00 |
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eb955b44f8
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Merge branch 'master' into collected-small-changes
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2020-04-01 20:26:02 -04:00 |
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2de7e90e58
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add Fedora 30 definition and update README file
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2020-04-01 20:21:30 -04:00 |
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09c2dec71f
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Fixed small non chemsnap multielement bug
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2020-04-01 17:18:31 -07:00 |
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909e6048c4
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Added mliap package
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2020-04-01 18:09:18 -06:00 |
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927b1b05e5
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ignore singularity container files in the entire repo
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2020-04-01 20:08:00 -04:00 |
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3329caa7f1
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First pass at general ML pair style
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2020-04-01 18:07:33 -06:00 |
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0cf48c37e1
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Add NVIDIA Singularity container
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2020-04-01 17:41:40 -04:00 |
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03988a9048
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Add ROCm Singularity container
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2020-04-01 17:29:07 -04:00 |
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ccdf010ef0
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Add Intel OpenCL Singularity container
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2020-04-01 17:08:40 -04:00 |
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dbdce3946b
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Update/Sync singularity container definition for Ubuntu 18.04
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2020-04-01 16:35:00 -04:00 |
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13da503704
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Merge pull request #1974 from stanmoore1/makefile
Fix MPI environment variable issue in Makefile.kokkos
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2020-04-01 14:06:13 -04:00 |
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e1924c6064
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Merge pull request #1969 from stanmoore1/team_size
Work around team_size issue in npair_kokkos
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2020-04-01 14:03:32 -04:00 |
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fd44f80022
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Merge pull request #1973 from evoyiatzis/ext-fix-adapt
Small extension of bonds supported by fix adapt
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2020-04-01 14:02:02 -04:00 |
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a4a4562b03
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KIM.cmake: remove _KIM_LIBDIR workaround
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2020-04-01 11:56:34 -06:00 |
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0358e9c4c9
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KIM.cmake: switch to imported targets
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2020-04-01 11:46:01 -06:00 |
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e5c5645520
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MSCG.cmake: create imported target for downloaded mscg
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2020-04-01 10:36:07 -06:00 |
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7059996356
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USER-SCAFACOS.cmake: use imported target for downloaded scafacos
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2020-04-01 09:02:51 -06:00 |
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72200a9958
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Fix MPI environment variable issue in Makefile.kokkos
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2020-04-01 08:57:18 -06:00 |
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9574a18a73
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USER-SMD.cmake: use imported target for downloaded eigen3
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2020-04-01 08:09:56 -06:00 |
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22b90413d5
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LATTE.cmake: create and use imported target
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2020-04-01 07:27:58 -06:00 |
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08e81d6a36
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Update bond_fene.cpp
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2020-04-01 15:15:52 +02:00 |
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e93920bb5d
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Update bond_nonlinear.cpp
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2020-04-01 15:15:25 +02:00 |
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ba81e6a955
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Update bond_morse.cpp
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2020-04-01 15:15:00 +02:00 |
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1157a2a4c2
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Update bond_class2.cpp
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2020-04-01 15:14:21 +02:00 |
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596ec06960
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Update fix_adapt.rst
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2020-04-01 15:01:34 +02:00 |
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ef112be870
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Update bond_nonlinear.cpp
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2020-04-01 14:54:17 +02:00 |
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d0c1b7ea08
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Update bond_nonlinear.h
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2020-04-01 14:52:41 +02:00 |
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9446f8f780
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Update bond_fene.cpp
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2020-04-01 14:51:23 +02:00 |
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