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bdb0fc6b7a
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replace non-ASCII character
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2023-12-23 11:35:39 -05:00 |
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0515f07172
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whitespace
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2023-12-23 03:00:11 -05:00 |
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0822a49cfc
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Merge branch 'develop' into collected-small-fixes
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2023-12-23 02:45:37 -05:00 |
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35214120ad
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Merge pull request #4025 from oywg11/ilp-tmd-update
Add a new potential file for ilp/tmd
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2023-12-22 21:06:27 -05:00 |
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4ea40ed2fd
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Merge branch 'ilp-tmd-update' of github.com:oywg11/lammps into collected-small-fixes
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2023-12-22 14:45:43 -05:00 |
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8cf958e241
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Merge branch 'aip-water-update' of github.com:oywg11/lammps into collected-small-fixes
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2023-12-22 14:44:27 -05:00 |
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7cfbe77532
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report incompatibility of verlet/split with INTEL package kspace styles
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2023-12-22 13:42:56 -05:00 |
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c4124c0995
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correct statement about Xeon Phi support
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2023-12-22 10:28:45 -05:00 |
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de066bcde0
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Merge remote-tracking branch 'lammps/develop' into electrode
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2023-12-21 14:13:16 +01:00 |
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b857cd9e39
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update the doc file
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2023-12-21 11:31:26 +08:00 |
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b58203fc52
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update the doc file
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2023-12-21 10:44:03 +08:00 |
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86f87e0f7b
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Update docs
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2023-12-19 10:46:41 -07:00 |
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6c798412b4
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fix typo and remove unnecessary quotes
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2023-12-18 18:52:42 -05:00 |
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af222711ae
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Added text to explain the output of ctest -V a bit more
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2023-12-18 15:52:30 -06:00 |
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3237c30117
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reorganize the LAMMPS version and development description
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2023-12-18 15:48:03 -05:00 |
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cddce67931
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Merge branch 'develop' into issue3775_fft_kokkos
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2023-12-18 12:14:15 -05:00 |
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a6addbc907
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Updated documentation for FFT_KOKKOS_ flags and CMake variable selection
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2023-12-18 11:30:56 -05:00 |
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40f27eb7cf
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update doc file for ilp/tmd
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2023-12-18 17:36:04 +08:00 |
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8dcf980d0a
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update doc of ilp/tmd
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2023-12-18 16:55:10 +08:00 |
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188e1090e9
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add some corrections and clarifications
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2023-12-17 20:01:47 -05:00 |
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58ed034d7a
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Updated Developer unittest for debugging failed unit tests individually
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2023-12-17 15:42:10 -06:00 |
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1f540772af
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Merge branch 'develop' into BPM
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2023-12-15 15:25:35 -07:00 |
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5358a1b3b1
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2023-12-14 20:16:11 -05:00 |
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df7f3b8dea
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Merge pull request #3938 from rbberger/compute_reaxff_bonds_local
new compute: reaxff/atom
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2023-12-14 20:10:52 -05:00 |
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01ab951ff3
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Merge pull request #3833 from evoyiatzis/master
Implementation of analytical expressions for Born matrix of some potentials & inclusion of angle contribution to stress/mop/profile
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2023-12-14 20:08:12 -05:00 |
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603837c96c
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add versionadded tag
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2023-12-14 16:21:04 -05:00 |
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a98ea8c3b2
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Merge branch 'develop' into compute_reaxff_bonds_local
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2023-12-14 16:16:34 -05:00 |
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b94b9a311d
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Merge branch 'develop' into stress_deform
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2023-12-14 10:02:46 -07:00 |
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54ff3cf78f
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include new platform call in docs
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2023-12-14 11:21:09 -05:00 |
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757f28f8bf
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correct info about fix halt default setting
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2023-12-14 10:59:30 -05:00 |
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1e0d0e327c
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Merge pull request #4004 from akohlmey/collected-small-changes
Collected small changes and updates
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2023-12-13 16:25:16 -05:00 |
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89c5ee7079
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Merge pull request #3996 from lafourcadep/snann_slcsa
Compute sna/atom on fixed number of neighbors and compute slcsa/atom (Supervised Learning Crystal Structure Analysis tool)
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2023-12-13 14:36:49 -05:00 |
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37cb1ce30f
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Merge branch 'develop' of github.com:lammps/lammps into compute_reaxff_bonds_local
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2023-12-13 11:14:45 -07:00 |
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0c4a1cb21d
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Merge pull request #4009 from ndtrung81/gpu-updates-Dec23
GPU package updates Dec 2023
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2023-12-13 11:59:10 -05:00 |
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f53e2c3398
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update details about unittests
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2023-12-13 00:49:41 -05:00 |
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e7c330db9d
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Merge branch 'develop' into snann_slcsa
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2023-12-12 22:30:20 -05:00 |
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6923c04e47
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spelling and formatting fixes. small clarifications
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2023-12-12 21:01:20 -05:00 |
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710776d4e8
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Merge branch 'develop' into collected-small-changes
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2023-12-12 20:35:55 -05:00 |
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98feaa00cb
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Merge pull request #4012 from stanmoore1/kk_fix_temp
Port Fix temp berendsen and rescale to use Kokkos
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2023-12-12 20:34:48 -05:00 |
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ecc460b358
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Added the new pair styles to Command_pairs.rst and pair_style.rst
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2023-12-12 17:17:32 -06:00 |
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8104f68bc1
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Merge pull request #3963 from mkstoyanov/heffte_integration
Heffte integration
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2023-12-12 17:27:02 -05:00 |
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75c3959cea
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Merge pull request #4006 from Birfy/develop
Fixing typos in fix_nh_uef.rst
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2023-12-12 16:26:16 -05:00 |
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c33d950ac3
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Merge pull request #3869 from jmgoff/compute-pace-update
Compute pace update
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2023-12-12 16:19:41 -05:00 |
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d3eed12071
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include documentation integration checks into "make check" in the src folder
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2023-12-12 13:43:10 -05:00 |
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e241f08cfe
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Finish first version of compute reaxff/atom docs
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2023-12-11 14:05:42 -07:00 |
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9d51d9c0e9
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Update docs
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2023-12-11 12:55:06 -07:00 |
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25bb1633c3
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fix typo and be more precise in describing what "Loop" time means
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2023-12-11 09:48:07 -05:00 |
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37535267da
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clarify docs about fix phonon dependency on KSPACE
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2023-12-10 15:27:50 -05:00 |
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9a625b715a
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use Langevin thermostat with fix rigid/small instead of fix rigid/nvt/small
also intra-molecular non-bonded interactions are excluded now
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2023-12-10 09:50:51 -05:00 |
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267e360bac
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Fixed bugs with acquiring depsh from lib/gpu, updated the doc page
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2023-12-09 15:39:54 -06:00 |
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