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f8f4af471f
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general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff"
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2021-07-21 21:52:25 -04:00 |
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600b0d34ca
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disable install command for build libquip.a (not needed)
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2021-07-20 19:31:04 -04:00 |
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d8ca3e4b16
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add support for automatically downloading and building libquip
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2021-07-20 16:00:42 -04:00 |
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5af74edcc0
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Merge pull request #2815 from stanmoore1/kk_hash
Add atom_map hash option for Kokkos package
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2021-07-14 14:20:11 -04:00 |
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ac903ec291
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update list of non-style KOKKOS package sources with newly added file
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2021-07-10 10:55:07 -04:00 |
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8323b402fb
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update OpenCL ICD loader and headers to latest spec (3.0.8) from 2021-06-30
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2021-07-08 14:49:54 -04:00 |
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d47f2aca53
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recover compilation with CMake
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2021-06-29 22:18:27 -04:00 |
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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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2d4bb8f38c
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rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH
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2021-06-29 19:45:38 -04:00 |
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8e185a1a12
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rename USER-DPD to DPD-REACT
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2021-06-29 19:41:23 -04:00 |
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6ceedb62be
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rename USER-REAXC to REAXFF
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2021-06-29 19:37:55 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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c085e55695
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rename USER-SMD package to MACHDYN
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2021-06-29 17:19:39 -04:00 |
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d52cd88492
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rename USER-QUIP to ML-QUIP
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2021-06-29 15:55:41 -04:00 |
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fd24820603
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rename USER-PACE to ML-PACE
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2021-06-29 15:45:50 -04:00 |
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031e537d3f
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rename USER-HDNNP to ML-HDNNP
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2021-06-29 15:38:45 -04:00 |
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b8c5f08e75
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improve error message
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2021-06-29 11:13:44 -04:00 |
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e482502691
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rename SNAP package to ML-SNAP and fix up some remaining MLIAP to ML-IAP issues
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2021-06-29 11:06:59 -04:00 |
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78d1c8bc7e
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USER-MOLFILE depends on CMAKE_DL_LIBS when not compiling on Windows
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2021-06-27 14:39:53 -04:00 |
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55dc5216a0
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Revert "update googletest"
googletest compilation breaks on CentOS7 with native compilers
thus we are going back to version 1.10 (for now).
This reverts commit c6d950d35e.
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2021-06-21 16:36:24 -04:00 |
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55c2d51476
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better support for newer compilers. prefer flang with clang
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2021-06-12 21:19:05 -04:00 |
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c6d950d35e
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update googletest
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2021-06-12 13:10:56 -04:00 |
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b524a0b819
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correctly remove dependent sources for fix QEQ
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2021-06-06 18:25:16 -04:00 |
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5599deae0a
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quick-fix to compile plumed-2.7.1 with newer GCC and Clang compilers
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2021-06-03 19:47:32 -04:00 |
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f3ba2d07f8
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prefer GNU make (aka gmake) over plain "make", to avoid compilation failures
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2021-06-02 15:14:37 -04:00 |
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0895abaa74
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Update Kokkos CMake file
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2021-05-27 10:40:31 -06:00 |
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04defbf49c
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-05-25 18:57:34 -04:00 |
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9e1db61b41
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Merge branch 'master' into pair-style-nnp
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2021-05-25 16:44:55 -04:00 |
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bc063f2e88
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make formatting of if statements and string comparisons consistent
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2021-05-25 15:06:08 -04:00 |
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9bafefb4df
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Merge branch 'master' into update-homepage-url
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2021-05-24 14:05:04 -04:00 |
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a50c980595
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Merge branch 'master' into pair-style-nnp
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2021-05-24 12:08:45 -04:00 |
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0b538b1922
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add tool to fix LAMMPS homepage URLs
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2021-05-23 19:49:32 -04:00 |
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ba854ec7c3
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changes required to cross-compile unit tests for windows
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2021-05-23 01:46:14 -04:00 |
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6a41109cde
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work around compatibility issues with MPI and classic intel compilers
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2021-05-22 18:30:25 -04:00 |
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47507de276
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libn2p2 uses M_PI which is non-standard and thus requires -std=gnu++11 with newer MinGW
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2021-05-22 16:26:36 -04:00 |
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6fe5c338a8
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add comments to document USER-HDNNP cmake scripting
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2021-05-22 11:54:35 -04:00 |
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076412b7ac
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allow compiler specific ar
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2021-05-22 11:35:40 -04:00 |
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8b76f6ac63
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disable debug settings and pass platform "ar" program
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2021-05-22 11:28:06 -04:00 |
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42ef13bc06
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enable C++11 for compiling N2P2 lib with PGI
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2021-05-22 11:19:54 -04:00 |
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14cb45c161
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xcode compiler may be reported as AppleClang instead of Clang
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2021-05-22 10:40:55 -04:00 |
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5e2b97812e
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update sed command for BSD sed which doesn't like multiple -e options
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2021-05-22 10:33:06 -04:00 |
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450503cc42
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pass C++ standard setting flag to N2P2 make (needed for macOS' xcode)
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2021-05-22 10:30:38 -04:00 |
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95427b1fda
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add support for building with Windows including cross-compilation and MPI-2
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2021-05-22 07:43:54 -04:00 |
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c0b25853cf
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more cmake tweaks
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2021-05-21 17:12:11 -04:00 |
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a9dfecc27f
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regularize automatic download build for n2p2 library with CMake
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2021-05-21 16:16:01 -04:00 |
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10961b8cb6
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update to upstream
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2021-05-21 16:15:31 -04:00 |
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9cf8f96838
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Fixed bug, changed build docs
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2021-05-17 00:39:06 +02:00 |
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31a55f1f76
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-05-16 22:54:29 +02:00 |
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333f0c0c2a
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simplify some more
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2021-05-15 23:01:59 -04:00 |
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017643cfa8
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address various issues in USER-MDI.cmake for downloaded MDI library
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2021-05-15 21:41:45 -04:00 |
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