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bed6ad4660
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manually incorporate fixes for ave/correlate/long from PR #2066
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2020-05-04 08:18:56 -04:00 |
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61284891ee
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add a few more packages to the "most" preset
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2020-05-03 05:04:07 -04:00 |
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b12b69f6dc
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silence compiler warning
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2020-05-03 04:55:35 -04:00 |
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f1e1644fe1
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fix typo that resulted in LAPACK not being properly linked with USER-ATC
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2020-05-03 04:55:25 -04:00 |
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d811fd0da7
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skip building chain.x, if no Fortran compiler is available
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2020-05-03 04:23:52 -04:00 |
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fdb4ba51da
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add patch to VORONOI package external build so it will compile with BSD make
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2020-05-03 04:04:02 -04:00 |
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f5be3ccab4
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add the check for MPI in USER-ATC at the correct location
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2020-05-03 03:06:41 -04:00 |
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863b50501c
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port MPI stubs workaround to USER-ATC
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2020-05-03 02:49:52 -04:00 |
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4bf9c47317
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support diskfree option to "fix halt" also on BSD variants
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2020-05-03 02:34:40 -04:00 |
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e8d4cc424e
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use different header for alloca(3) on *BSD
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2020-05-03 01:10:04 -04:00 |
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fa2a6d7c6b
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replace legacy preprocessor tests for linux with POSIX compliant ones
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2020-05-03 01:04:52 -04:00 |
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d5b9948129
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extend FreeBSD preprocessor checks to other BSD flavors
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2020-05-03 01:00:01 -04:00 |
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795e2cb133
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recover compilation of fix imd on FreeBSD
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2020-05-02 16:04:01 -04:00 |
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2b542eacb7
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add FreeBSD compatibility
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2020-05-02 15:56:24 -04:00 |
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613b8a7596
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use static_cast<>() for casting NULL
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2020-05-02 06:29:43 -04:00 |
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c18efdbfa7
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initialize pointers in order of definition
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2020-05-02 06:29:12 -04:00 |
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89f119e8aa
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avoid segfaults when selecting a subset on MPI ranks that will not have any matching lattice positions to start with
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2020-04-30 22:12:07 -04:00 |
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6913e3a6a4
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Merge pull request #1760 from lammps/fix-dummy
added internal fix dummy command to enable more control of fix ordering
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2020-04-30 14:46:22 -04:00 |
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6b8f26e8ad
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Merge pull request #2046 from stanmoore1/kk_cutneighsq
Fix rare issue in Kokkos neighlist
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2020-04-30 13:00:51 -04:00 |
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3ecaf0f336
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Merge pull request #2047 from lammps/replica-doc-page
Clarifying AMD quote from review paper for 3 AMD methods in LAMMPS
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2020-04-30 12:50:01 -04:00 |
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c39b71cd1b
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Merge pull request #2048 from junghans/cmake_disable_static_lib_install
cmake: disable installing of static libs
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2020-04-30 12:28:41 -04:00 |
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eba1a15616
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Port changes to Kokkos package
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2020-04-30 08:44:55 -06:00 |
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88bf503451
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Merge from master
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2020-04-30 08:17:05 -06:00 |
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1adda03202
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cmake: only install shared lib and friends
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2020-04-29 18:06:33 -06:00 |
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600d357155
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cmake: disable installing of static libs
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2020-04-29 16:26:56 -06:00 |
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18c63ade92
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clarified AMD quote from review paper
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2020-04-29 16:14:52 -06:00 |
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0588232a34
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Fix rare issue in Kokkos neighlist
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2020-04-29 14:29:18 -06:00 |
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5c2f0ecc65
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Merge pull request #2045 from stanmoore1/kk_team_coul
Fix issue in Kokkos "team" energy
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2020-04-29 15:32:45 -04:00 |
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feed7302d5
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Merge pull request #2044 from stanmoore1/kk_reax_full
Remove full neigh list option in Kokkos ReaxFF
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2020-04-29 14:54:54 -04:00 |
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e10d62c89f
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Fix energy tally issue
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2020-04-29 10:06:09 -06:00 |
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04388c26f8
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Fix Kokkos view runtime issue
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2020-04-29 10:05:47 -06:00 |
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7508660d8a
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Merge pull request #2036 from stanmoore1/kk_dihedral_charmm
Fix issues in dihedral_charmm_kokkos
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2020-04-29 10:24:32 -04:00 |
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fe9e6736e1
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Merge branch 'master' into kk_dihedral_charmm
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2020-04-29 08:00:55 -06:00 |
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910d00f500
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Merge pull request #2041 from stanmoore1/kk_team_ev
Fix Kokkos issue and remove N2 neigh list option
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2020-04-28 19:23:35 -04:00 |
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17f7bf2fb9
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Merge pull request #2035 from stanmoore1/kk_uvm
Fix UVM compile issues
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2020-04-28 19:23:12 -04:00 |
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e47dc6fec9
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Merge pull request #2043 from ellio167/ubuntu-install-docs
Update ubuntu ppa install docs
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2020-04-28 19:22:27 -04:00 |
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a88364a2ea
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Tweak error message
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2020-04-28 15:39:01 -06:00 |
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754d9fabc6
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Merge branch 'ubuntu-install-docs' of github.com:ellio167/lammps into ubuntu-install-docs
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2020-04-28 17:27:49 -04:00 |
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b3d8986603
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list update kokkos flag
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2020-04-28 17:27:23 -04:00 |
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e9a777e63d
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Add explaination of potenentials directory behavior for lmp_daily
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2020-04-28 16:16:28 -05:00 |
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4bb5f99801
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fix underline
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2020-04-28 17:15:48 -04:00 |
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fa0f10f2f5
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Remove debug output
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2020-04-28 15:15:26 -06:00 |
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6ed2adcd31
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Removed unused functions
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2020-04-28 15:12:41 -06:00 |
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62cdc9d6f1
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Remove full neigh list option in Kokkos ReaxFF
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2020-04-28 15:08:30 -06:00 |
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c6dc0cf8c5
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flag commands and paths as literals.
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2020-04-28 17:03:20 -04:00 |
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3392dca7b8
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fix typos in manual
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2020-04-28 16:45:02 -04:00 |
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87ca8a0627
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Update ubuntu ppa install docs
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2020-04-28 15:38:41 -05:00 |
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f5a8d40a51
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Merge pull request #1906 from stanmoore1/kk_copycpu
Add method to copy Kokkos neighbor list to CPU list
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2020-04-28 15:34:05 -04:00 |
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32f5fd2373
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Comment cleanup
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2020-04-28 10:39:31 -06:00 |
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712b8668cb
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Fix Kokkos neighlist issue and remove N2 option
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2020-04-28 10:33:10 -06:00 |
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