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55fddf3aac
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update (tentative) release date
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2022-04-27 18:26:07 -04:00 |
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b76594e551
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enforce only newton pair on with smatb pair styles. add unit tests
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2022-04-27 18:08:05 -04:00 |
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2d45e3340f
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move sources and examples for smatb styles to SMTBQ package folders
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2022-04-27 15:14:02 -04:00 |
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585b14f08f
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fix memory leak
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2022-04-27 15:10:55 -04:00 |
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3cfae26b84
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update docs and make part of SMTBQ package
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2022-04-27 15:10:46 -04:00 |
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3b1165ccdc
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update files to be more compatible with LAMMPS' conventions and for code changes
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2022-04-27 15:02:32 -04:00 |
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75d42a87e5
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Merge branch 'develop' into Iximiel/develop
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2022-04-27 14:15:10 -04:00 |
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cdba0da780
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Merge branch 'snap-inner-mod' of github.com:athomps/lammps into snap-inner-mod
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2022-04-27 10:58:43 -06:00 |
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a3c6baad4c
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Removed CPU specific options
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2022-04-27 10:58:22 -06:00 |
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0e1f9968c1
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Merge branch 'develop' of github.com:lammps/lammps into snap-inner-mod
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2022-04-27 10:48:24 -06:00 |
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6439777406
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complete documentation of the MathSpecial namespace
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2022-04-27 11:59:25 -04:00 |
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c43bc000d9
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Removed unnecessary commented out code section.
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2022-04-27 19:46:18 +10:00 |
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d857600d9c
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start documenting functions in the MathSpecial namespace
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2022-04-27 04:46:18 -04:00 |
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385f0c6c95
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Update Kokkos build documentation to include hipFFT options.
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2022-04-27 10:13:03 +10:00 |
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8cdbf380cf
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Add support for hipFFT backend in PPPMKokkos.
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2022-04-27 09:22:59 +10:00 |
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691ba89b6f
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Merge pull request #3234 from lammps/variable-vector-wildcard
add support for wildcards in variable vectors
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2022-04-26 18:21:46 -04:00 |
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1fcf82aeef
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Merge remote-tracking branch 'github/develop' into variable-vector-wildcard
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2022-04-26 17:54:32 -04:00 |
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56b4671cd8
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Merge pull request #3233 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2022-04-26 17:54:11 -04:00 |
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d8e98cb99d
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make tests more complex and add vector variable expansion
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2022-04-26 17:53:47 -04:00 |
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831caaa150
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Merge branch 'collected-small-changes' into variable-vector-wildcard
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2022-04-26 17:26:17 -04:00 |
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64fff417c3
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test more bound variants
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2022-04-26 17:25:27 -04:00 |
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7eb6c2652f
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update advanced utils tests. include test for expand args
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2022-04-26 16:16:44 -04:00 |
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d04cb4ba42
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edits to doc page
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2022-04-26 13:58:18 -06:00 |
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782add6943
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Merge branch 'feature-create-atoms-exclude' of github.com:erozic/lammps into create-overlap
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2022-04-26 13:22:10 -06:00 |
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800e0a7357
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bug fix for new fix adapt angle support
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2022-04-26 09:34:27 -06:00 |
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7663fc6256
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correctly use "type" to detect executables/scripts
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2022-04-26 11:08:31 -04:00 |
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26278643d4
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Port changes to Kokkos
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2022-04-26 08:22:00 -06:00 |
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407f6af1ed
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Merge branch 'develop' of github.com:lammps/lammps into snap-inner-mod
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2022-04-26 08:13:30 -06:00 |
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192b22a6ce
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Set rng init for electrode/thermo
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2022-04-26 16:03:45 +02:00 |
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837f9040d8
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add tests for advanced utility functions that require a LAMMPS instance
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2022-04-26 09:30:34 -04:00 |
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4691ff06b5
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format
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2022-04-26 09:30:10 -04:00 |
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ba02d90bf1
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add test for new errorurl() utility function
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2022-04-26 09:29:57 -04:00 |
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a649fa3a79
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detect yaml file output by file name
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2022-04-26 06:20:00 -04:00 |
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72011bf325
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Updated doc (use of overlap clarified)
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2022-04-26 11:55:24 +02:00 |
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7aaa71d22e
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Merge remote-tracking branch 'lammps/develop' into electrode
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2022-04-26 10:29:39 +02:00 |
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66b8ab9c6e
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Revamped examples
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2022-04-26 09:42:45 +02:00 |
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fdb7dfdea7
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also remove mode from fix ave/correlate
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2022-04-25 17:04:04 -06:00 |
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e7a9073ccd
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remove discussion of mode
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2022-04-25 17:01:15 -06:00 |
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65978c33b6
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2 more doc pages
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2022-04-25 16:06:52 -06:00 |
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bb8e953fb5
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add support for wildcards in variable vectors
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2022-04-25 15:43:08 -06:00 |
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950b175fcd
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remove invalid [[noreturn]] attribute
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2022-04-25 16:23:48 -04:00 |
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dc605d35ee
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Updated ML-IAP package
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2022-04-25 13:58:41 -06:00 |
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811e5786fe
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Merge branch 'develop' into feature-create-atoms-exclude
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2022-04-25 19:30:52 +02:00 |
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c1146ebdcd
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Resolved conflicts with develop
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2022-04-25 19:11:54 +02:00 |
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8679266db8
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add container definitions for Fedora 36 and Ubuntu 22.04LTS
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2022-04-25 13:05:43 -04:00 |
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2624043ab6
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Synchronisation fix
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2022-04-25 17:03:07 +02:00 |
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960d3faa5e
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Merge branch 'master' of github.com:z-gong/lammps into collected-small-changes
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2022-04-25 02:58:17 -04:00 |
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a5cd95d6c6
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Add comment for the units in compute/viscosity
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2022-04-25 06:23:54 +02:00 |
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28900925f4
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Fix the unit for fix/accelerate/cos
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2022-04-25 05:59:41 +02:00 |
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9c46acfd62
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fix parallel processing bug with shell mkdir command
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2022-04-24 23:23:01 -04:00 |
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