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b5d43f1570
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Merge branch 'master' into small_changes
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2020-11-30 15:39:25 -05:00 |
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cf608d221c
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Merge pull request #2436 from stanmoore1/eam_tweaks
Kokkos EAM tweaks for V100
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2020-11-30 15:38:16 -05:00 |
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c6eed8c3e1
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Merge pull request #2497 from stanmoore1/kk_update_3.2.1
Update Kokkos library in LAMMPS to v3.2.1
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2020-11-30 15:37:55 -05:00 |
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40dd4e57fb
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Merge pull request #2467 from jrgissing/bond/react-delete_atoms_bugfix
Bond/react: molecule keyword + bugfixes
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2020-11-30 15:35:14 -05:00 |
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ce3c92d52e
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Avoid duplicate doc target
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2020-11-30 14:55:35 -05:00 |
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14f691f0af
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Add support for NVIDIA OpenCL in Ubuntu gpu containers
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2020-11-30 14:46:24 -05:00 |
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a67c4d8d05
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Fix Kokkos verison
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2020-11-30 12:23:33 -07:00 |
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0f27ba34b0
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whitespace
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2020-11-30 13:33:09 -05:00 |
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ec7d3dd84c
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Add tweak suggested by @weinbe2 to reduce memory reads
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2020-11-30 11:21:16 -07:00 |
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369197fd5e
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Update KOKKOS.cmake
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2020-11-30 10:55:40 -07:00 |
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e2e86bbffa
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Merge pull request #2486 from tomswinburne/master
Very minor bug fix for NEB
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2020-11-30 12:55:21 -05:00 |
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e0c87fc0b6
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Merge pull request #2419 from akohlmey/reset-invalid-image-flags
Reset invalid image flags on read_data
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2020-11-30 12:53:50 -05:00 |
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a6037a957f
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Update Kokkos library in LAMMPS to v3.2.1
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2020-11-30 10:36:13 -07:00 |
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91f21fcd9e
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Merge pull request #2487 from akohlmey/collected-small-changes
Collected small changes and fixes
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2020-11-30 11:36:23 -05:00 |
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7edc34f81c
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Merge pull request #2495 from auroraustc/fix-fortran2-build
add LAMMPS_LIB_MPI flag to COUPLE-fortran2
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2020-11-29 21:25:33 -05:00 |
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7555c82c09
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Merge pull request #2492 from lammps/balance-neigh-skin
separate cut planes by neigh skin for balance shift
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2020-11-29 17:05:27 -05:00 |
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f58d87b3ec
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Merge pull request #2478 from rbberger/python_interface_coverage
Add Python unit tests to increase test coverage
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2020-11-29 15:19:42 -05:00 |
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bddbc516b5
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Merge branch 'master' into collected-small-changes
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2020-11-29 12:26:30 -05:00 |
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a5858e350c
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Merge pull request #2488 from ellio167/kim-api-2.2
Update KIM.cmake for kim-api-2.2.0
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2020-11-29 12:17:29 -05:00 |
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357e1de919
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Merge pull request #2477 from yafshar/kim_improvement
Misc. KIM updates
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2020-11-29 12:17:17 -05:00 |
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76f43f4c57
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Merge pull request #2440 from evoyiatzis/bond_gaussian
Bond & angle styles gaussian
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2020-11-29 10:13:51 -05:00 |
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db3991a09d
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Merge pull request #2391 from jstewa-snl/master
Added an electronic stopping fix to USER-MISC
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2020-11-29 01:01:55 -05:00 |
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5fb90694eb
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add LAMMPS_LIB_MPI flag to COUPLE-fortran2
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2020-11-28 17:38:29 +08:00 |
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62f5f3a3b8
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fix whitespace
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2020-11-27 15:17:39 -05:00 |
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5af15984e5
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fix typos and remove false false positive
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2020-11-27 15:16:32 -05:00 |
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b162961b84
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remove unbundled potential file (again)
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2020-11-27 15:16:04 -05:00 |
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1dee2debfd
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Comment the model due to an
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2020-11-27 11:59:24 -06:00 |
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8df0ee0dfa
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make new warning more gentle
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2020-11-27 12:15:31 -05:00 |
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fcf5f34a49
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memory fix
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2020-11-27 12:08:09 -05:00 |
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5c5e55b11d
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Update the kim model name
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2020-11-27 09:10:42 -06:00 |
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3601be6ceb
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Update the list of include statements, for classes derived from Pointers
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2020-11-26 10:40:17 -06:00 |
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dde42a5bd0
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updated pbc correction
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2020-11-26 16:10:58 +01:00 |
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2bb05d6f89
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Minor edits in Developer_unittest.rst
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2020-11-25 17:08:39 -05:00 |
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d5d151f34d
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complete first draft of unit test documentation
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2020-11-25 16:51:44 -05:00 |
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f05a53cb9a
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whitespace (again)
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2020-11-25 16:51:43 -05:00 |
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82703e5bac
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update fmtlib to version 7.1.3
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2020-11-25 16:51:43 -05:00 |
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2868f37304
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update keyword summary
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2020-11-25 16:51:43 -05:00 |
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b9f5de3ca0
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update URLs in README file
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2020-11-25 16:51:43 -05:00 |
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f0e4f9932f
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whitespace fixes
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2020-11-25 16:51:43 -05:00 |
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7f6638b681
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more unittest docs
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2020-11-25 16:51:43 -05:00 |
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583d3823d8
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address spelling issues
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2020-11-25 16:51:42 -05:00 |
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a8275e0e51
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fix issues with compute stress/atom docs
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2020-11-25 16:51:42 -05:00 |
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2b6c995e12
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more unittest docs
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2020-11-25 16:51:42 -05:00 |
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bbe50ab5c1
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more documentation for adding unittest
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2020-11-25 16:51:42 -05:00 |
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2a8cc331e7
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add test for "newton" command to match the c-library interface tests
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2020-11-25 16:51:42 -05:00 |
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27144ce0dd
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more details about mass and time units when using reduced units
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2020-11-25 16:51:42 -05:00 |
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569a000e6b
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reformat unittest sources with clang-format
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2020-11-25 16:51:41 -05:00 |
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a8b60848c3
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small updates.
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2020-11-25 16:51:41 -05:00 |
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36ae363b8b
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Start section in the programmer guide describing how to add unit tests
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2020-11-25 16:51:41 -05:00 |
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9d7319dd2b
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whitespace fixes
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2020-11-25 16:51:41 -05:00 |
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