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9f8857cd47
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Merge pull request #2567 from stanmoore1/auto_sync
Fix sync/modify issue in Kokkos atom_vec
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2021-01-29 08:33:29 -05:00 |
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b2d5c32cba
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Fix sync/modify issue in Kokkos atom_vec
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2021-01-28 14:56:51 -07:00 |
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a77bb30730
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Merge pull request #2561 from akohlmey/collected-small-changes
Address minor issues indicated by compiler warnings and static code analysis
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2021-01-22 16:24:04 -05:00 |
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70998c0509
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Merge pull request #2562 from stanmoore1/kk_space
Fix issues in Kokkos package with pair/only on
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2021-01-22 14:02:31 -05:00 |
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7e1a1d7a2c
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hoist "shift_flag" outside of inner loops.
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2021-01-22 12:27:22 -05:00 |
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bdd2bd21dc
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add const qualifiers
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2021-01-22 12:26:33 -05:00 |
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56e4545ebc
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restore incorrectly changed code
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2021-01-22 12:16:12 -05:00 |
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3bbedb1cd9
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whitespace
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2021-01-22 08:55:20 -07:00 |
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0b409116aa
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Template other lambdas on DeviceType
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2021-01-22 08:44:29 -07:00 |
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4d4d28d49d
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Fix issues in Kokkos package with pair/only on
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2021-01-22 08:16:30 -07:00 |
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a77c15c185
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correct overeager deletion of statements
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2021-01-22 09:48:49 -05:00 |
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6d5c88b045
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simplify and avoid a redundant computation
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2021-01-22 09:27:17 -05:00 |
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50e366cc91
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remove dead code
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2021-01-22 09:26:33 -05:00 |
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9a04e7e10c
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make sum variable unambiguous and handle out-of-bounds accesses
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2021-01-19 16:55:17 -05:00 |
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833d5b3bb4
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Merge branch 'master' into collected-small-changes
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2021-01-19 11:49:07 -05:00 |
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364727acdd
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Merge pull request #2559 from jrgissing/bond/react-reaction-constraints-bugfix
bond/react: reaction constraints bugfix
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2021-01-18 16:59:40 -05:00 |
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d49f021c8b
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silence compiler warnings
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2021-01-18 14:40:23 -05:00 |
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7b87f45d1a
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Merge pull request #2554 from akohlmey/accelerator-introspection
Add accelerator introspection functionality
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2021-01-18 11:59:00 -05:00 |
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f65ea359ac
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Merge pull request #2558 from akohlmey/use-math-extra
Replace redundant 3-vector function definitions in pair styles with MathExtra functions
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2021-01-18 10:42:24 -05:00 |
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06f70723af
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Merge pull request #2557 from akohlmey/collected-small-changes
Collected small changes and updates
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2021-01-18 10:26:50 -05:00 |
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e88d42f596
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correct indentation
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2021-01-17 16:06:08 -05:00 |
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a2d7d47cac
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add unittest for python interface of accelerator config introspection
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2021-01-16 17:12:29 -05:00 |
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d4a0006388
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silence compiler warnings and remove dead code
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2021-01-16 15:46:42 -05:00 |
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847ad67fb6
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silence compiler warning
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2021-01-16 15:38:55 -05:00 |
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7c3cd30ef7
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replace non-ASCII character with ASCII equivalent
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2021-01-16 01:22:38 -05:00 |
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1cdce9233e
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identify offloading to Xeon Phi accelerator coprocessors
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2021-01-16 01:07:44 -05:00 |
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99ae866973
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add Kokkos introspection. correct package names.
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2021-01-16 00:57:46 -05:00 |
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a647c236d0
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make categories contain lists instead of strings as we may have multiple supported settings
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2021-01-16 00:56:27 -05:00 |
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a644375afa
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make code python2/3 compatible
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2021-01-16 00:23:44 -05:00 |
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efda7559c0
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Merge branch 'master' into accelerator-introspection
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2021-01-16 00:15:07 -05:00 |
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acbcf44437
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remove math_vector.h and math_complex.h
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2021-01-15 17:52:21 -05:00 |
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37cd54bd57
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convert ewald disp to use MathExtra and copy features from math_complex.h and math_vector.h not available
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2021-01-15 17:52:10 -05:00 |
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49bc05aa1b
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replace use of math_vector.h with math_extra.h in some more pair styles
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2021-01-15 17:25:44 -05:00 |
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a7c02bb6b8
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Update fix_bond_react.cpp
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2021-01-15 16:58:18 -05:00 |
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303156848b
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remove use of math_vector.h from /sphere integrator fixes
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2021-01-15 16:55:23 -05:00 |
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3269f6a2e3
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bond/react: reaction constraints bugfix
bug could occur if subsequent reaction has fewer constraints than previous
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2021-01-15 16:52:39 -05:00 |
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be1fb12bfa
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convert use of per-style vec3_*() functions to use MathExtra:: functions
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2021-01-15 16:13:13 -05:00 |
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33a0c30cfe
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add const for better optimization, add overload for scaleadd3()
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2021-01-15 16:12:14 -05:00 |
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675256f72d
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replace vec3_*() functions in Tersoff class with equivalent from MathExtra::
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2021-01-15 15:21:07 -05:00 |
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f2c2876f8f
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add second version of scale3 with alternate argument list to match MANYBODY inlines
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2021-01-15 15:20:14 -05:00 |
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8407145e71
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remove obsolete makefiles from lib/gpu based on info from @ndtrung81
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2021-01-15 14:51:29 -05:00 |
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fdb34f52d7
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Merge branch 'master' into collected-small-changes
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2021-01-15 14:45:16 -05:00 |
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2a508ee976
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Merge pull request #2555 from ndtrung81/gpu-makefiles
Improvements to the GPU library Makefiles
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2021-01-15 14:25:19 -05:00 |
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5e6411ea5a
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Merge pull request #2514 from oywg11/tersoff-shift
Add a shift option to most Tersoff potential variants
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2021-01-15 13:59:56 -05:00 |
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8060a750d4
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Merge pull request #2556 from akohlmey/eam-he-pair-style
Add eam/he pair style for modeling He bubbles in metals
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2021-01-15 12:34:59 -05:00 |
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6d1babfe89
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correct reference for eam/he publication
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2021-01-15 11:59:21 -05:00 |
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d501fd7e29
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simplify description of the HE EAM file format
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2021-01-15 11:43:46 -05:00 |
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ff1a7080a8
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whitespace
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2021-01-14 14:34:00 -05:00 |
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fef1816927
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Merge branch 'whitespace-fix' into eam-he-pair-style
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2021-01-14 14:33:38 -05:00 |
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537019f91f
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Made Nvidia.makefile and Opencl.makefile more compact, stored their older version
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2021-01-13 22:52:01 -06:00 |
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