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674d2a6788
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Merge branch 'develop' into remove-message-package
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2022-04-09 00:25:11 -04:00 |
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8b53ff9383
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Merge pull request #2921 from lammps/mdi-expand
Enhance MDI support in LAMMPS in its MDI package
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2022-04-09 00:18:50 -04:00 |
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22122092e4
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Merge pull request #3206 from akohlmey/add-kimplugin
Add kimplugin source and CMake based build support
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2022-04-08 23:09:13 -04:00 |
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d0d4bbf5ae
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Merge pull request #3196 from akohlmey/avoid-bigint-format-scanf
Refactor code to avoid XXXINT_FORMAT defines and xxscanf() function calls
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2022-04-08 21:24:57 -04:00 |
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093667799d
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Merge branch 'develop' into mdi-expand
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2022-04-08 20:58:53 -04:00 |
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8cdce34b27
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Merge branch 'develop' into dump-style-yaml
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2022-04-08 18:42:28 -04:00 |
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6849356d63
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fix spelling, formatting, and cross-link/indexing issues
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2022-04-08 18:35:51 -04:00 |
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fbc55937fe
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Merge pull request #3198 from bathmatt/pair-dpd
DPD-BASIC kokkosification
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2022-04-08 17:48:28 -04:00 |
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dff3bc5656
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Merge branch 'develop' into avoid-bigint-format-scanf
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2022-04-08 17:39:25 -04:00 |
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fc24cf15ce
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Merge pull request #3197 from akohlmey/custom-thermo-headers
add support for custom header keywords with thermo output and dump styles
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2022-04-08 17:29:35 -04:00 |
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b24d01fae6
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remove broken links in the manual from removing packages
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2022-04-08 17:27:01 -04:00 |
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bfaa1e9ed0
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whitespace
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2022-04-08 16:28:57 -04:00 |
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a7ccb16aa8
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Merge pull request #3192 from davidfir3/fep_ta
New feature compute fep/ta
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2022-04-08 16:27:12 -04:00 |
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bd4d92c76d
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entry for mdi sub-dir in Examples.rst
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2022-04-07 16:02:45 -06:00 |
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792ae5dae5
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remove src/MESSAGE package and supporting dirs and doc pages
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2022-04-07 15:44:48 -06:00 |
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0b6aa59621
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updated doc pages
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2022-04-07 14:42:58 -06:00 |
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e2f25a96e1
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spelling
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2022-04-07 14:50:33 -04:00 |
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9b969648d5
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add kimplugin source and CMake based build support
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2022-04-07 12:51:06 -04:00 |
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fdf59e6a03
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more debugging for plugin library mode
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2022-04-07 09:26:43 -06:00 |
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58ecf03e5d
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correct yaml import
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2022-04-07 00:37:18 -04:00 |
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348ee5299e
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implement a dump style yaml
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2022-04-06 19:11:55 -04:00 |
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e944ecd1c2
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correct docs
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2022-04-06 19:10:16 -04:00 |
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b1e92c9ec6
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update YAML reading python example to read faster using libyaml.
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2022-04-06 17:38:25 -04:00 |
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cd7f08a8e7
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support dump_modify for column headers in ADIOS dump styles
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2022-04-06 09:31:01 -04:00 |
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e4f62cae9a
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integrated added styles into manual
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2022-04-05 22:01:21 -04:00 |
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288c154290
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Merge pull request #3186 from Ruyk/kokkos-sycl-cmake
Add kokkos-sycl.cmake preset
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2022-04-04 16:12:24 -04:00 |
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134c77a5c6
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reference kokkos-sycl.cmake in the docs
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2022-04-04 14:47:53 -04:00 |
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02f972292c
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spelling
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2022-04-04 12:16:28 -04:00 |
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5d4ec45534
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Merge branch 'develop' into custom-thermo-headers
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2022-04-04 12:08:23 -04:00 |
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d89ff310c1
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Merge pull request #3202 from lammps/fix-deform-doc-page-edit
Fix deform doc page edit
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2022-04-04 12:07:10 -04:00 |
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63a841e300
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doc page edit
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2022-04-04 08:59:40 -06:00 |
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c9d0889f25
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add "transrot" style to fix move that allows to do translation and rotation at the same time
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2022-04-02 18:34:17 -04:00 |
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93c67a3c07
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make compute msd (and msd/nongauss) error out immediately when used with a dynamic group
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2022-04-02 17:13:30 -04:00 |
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49abd0d269
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update docs
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2022-04-01 15:17:10 -04:00 |
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dab640220c
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Fix name to match code
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2022-04-01 12:48:58 -06:00 |
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ea9e3c0860
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Update fix ACKS2 docs
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2022-04-01 12:45:38 -06:00 |
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4042a52db1
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rename header keyword to colname
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2022-03-31 21:58:35 -04:00 |
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e3611c5d73
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add support for custom keywords with thermo output
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2022-03-31 17:26:46 -04:00 |
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52b563a83e
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modernize parsing in fix tmd, add support for comments and empty lines
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2022-03-31 07:36:50 -04:00 |
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acd9c7950e
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update doc and example
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2022-03-31 12:25:10 +08:00 |
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1c9dc9c0d9
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correct formatting
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2022-03-30 22:11:46 -04:00 |
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ff3ac64b7e
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spelling
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2022-03-30 03:32:26 -04:00 |
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faacf575b5
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add support for >+FORCES command
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2022-03-29 14:20:44 -06:00 |
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b92d117524
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Merge pull request #3191 from akohlmey/collected-small-changes
Collected small changes and fixes
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2022-03-29 14:45:18 -04:00 |
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385b7a77e6
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Merge pull request #3193 from samueljmcameron/stable_fix_brownian_update
BROWNIAN package update
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2022-03-29 13:03:11 -04:00 |
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2a35ec2d85
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Merge pull request #3187 from stanmoore1/kk_opt_neighlist
Optimize Kokkos neigh list for GPUs
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2022-03-29 12:05:34 -04:00 |
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bfe361c576
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fix doc building issues
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2022-03-29 09:47:44 -04:00 |
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5ea526728e
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Merge branch 'develop' into stable_fix_brownian_update
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2022-03-29 08:26:11 -04:00 |
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88ff2db715
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cosmetic updates, print warnings only on MPI rank 0
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2022-03-29 08:23:18 -04:00 |
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6f1fac1c59
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Updated docs.
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2022-03-29 12:21:09 +01:00 |
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