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dfafdff209
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finalized dump command support for general triclinic
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2023-11-20 12:06:58 -07:00 |
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92b02041cb
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more edits on create_atoms doc page
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2023-11-18 17:16:29 -07:00 |
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56b2c7ed46
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alter how lattice interacts with create_box and create_atoms for general triclinic
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2023-11-17 17:10:45 -07:00 |
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4ccd59af80
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another doc tweak for 2d
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2023-11-16 16:37:43 -07:00 |
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4057ee3d62
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more doc page updates for general tri
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2023-11-16 16:35:16 -07:00 |
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fc5803188f
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doc page for write_data
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2023-11-15 09:29:04 -07:00 |
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a0a21fab64
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changes for body particles in general triclinic
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2023-11-14 17:03:56 -07:00 |
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4da49c6d85
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more updates to doc page and read_data functionality
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2023-11-13 15:22:17 -07:00 |
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e57079768f
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update some doc pages
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2023-11-09 17:58:12 -07:00 |
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612a919e93
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more work on read_data and doc pages
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2023-11-06 16:56:33 -07:00 |
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de037f5bd8
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Merge branch 'develop' into general-triclinic
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2023-11-03 14:53:17 -06:00 |
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6fe6395ab2
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reset quats for ellipsoids for general <-> restriced triclinic
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2023-11-03 14:52:41 -06:00 |
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e655cda066
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Merge pull request #3828 from vladgl/kk-ompi-rocm
Dynamic check for CUDA and ROCm-aware OpenMPI support in KOKKOS package
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2023-11-01 18:10:59 -04:00 |
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45582fee07
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Merge pull request #3960 from akohlmey/nb3b-screened
New pair_style nb3b/screened
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2023-11-01 14:57:00 -04:00 |
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b8a0622be1
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Merge pull request #3964 from lammps/compute-cluster-atom-bugfix
Fix bug with compute cluster/atom and aggregate/atom when used with fix deform
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2023-11-01 04:59:15 -04:00 |
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7a148688d5
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Merge branch 'develop' into general-triclinic
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2023-10-31 16:19:58 -06:00 |
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74efe0a00c
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add comm of ghost atom coords to compute cluster/atom and aggregate/atom
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2023-10-31 16:02:49 -06:00 |
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ac527e3d3f
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store invrho instead of rho
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2023-10-31 10:07:53 -04:00 |
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a4064e5202
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update code owners for new pair style
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2023-10-31 09:37:38 -04:00 |
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41fb0a5700
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make README consistent with potential file and implementation
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2023-10-31 09:34:32 -04:00 |
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6056941688
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add pair_style nb3b/screened by Federica Lodesani
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2023-10-30 11:28:45 -04:00 |
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f0a15036cd
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Merge pull request #3957 from jrgissing/record_particle_insertions
Record particle insertions
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2023-10-30 10:07:52 -04:00 |
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c5c816e360
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Add another check
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2023-10-28 20:14:53 -06:00 |
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56d2a791af
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whitespace
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2023-10-28 14:01:39 -04:00 |
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902c43e8c6
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formatting
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2023-10-28 13:45:55 -04:00 |
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db91f9413d
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docs
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2023-10-28 13:41:42 -04:00 |
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c5463e13f1
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output ninserted for fixes: deposit+pour
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2023-10-28 13:22:10 -04:00 |
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6c3206f2f6
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Tweaks
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2023-10-27 15:41:21 -06:00 |
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e7fc2923a5
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whitespace
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2023-10-27 14:59:51 -06:00 |
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0ab6870402
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Need to include MPI header
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2023-10-27 10:31:24 -06:00 |
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16dd61ca5f
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Remove redundant compile-time checks
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2023-10-27 09:48:26 -06:00 |
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ed6c603488
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Merge pull request #3954 from bnebgen-LANL/mliap_null_fix
Mliap null fix
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2023-10-26 20:18:32 -04:00 |
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7051852f8f
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Merge pull request #3947 from evoyiatzis/patch-7
Enable definition of cone region using equal variables
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2023-10-26 20:07:09 -04:00 |
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b1ffb70f7d
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Logic tweak
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2023-10-26 17:20:33 -06:00 |
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eea3b1a757
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Whitespace
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2023-10-26 13:59:36 -06:00 |
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226786969a
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Merge pull request #3953 from jibril-b-coulibaly/fix_wall_region_eflag
Fix wall region eflag
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2023-10-26 04:41:51 -04:00 |
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47dd98dd34
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whitespace
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2023-10-25 20:38:20 -04:00 |
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8aa28e40b7
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Merge branch 'mliap_null_fix' of github.com:bnebgen-LANL/lammps-kokkos-mliap into mliap_null_fix
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2023-10-25 14:40:06 -06:00 |
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bb9f468247
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Added fix to setting pair energies in kokkos
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2023-10-25 14:38:28 -06:00 |
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ea744ac8f9
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fix typos
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2023-10-25 11:17:24 -06:00 |
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23d4bfe198
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reset eflag=0 in fix wall/region
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2023-10-25 11:08:58 -06:00 |
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358ee6eb1b
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Merge branch 'lammps:develop' into mliap_null_fix
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2023-10-23 05:29:07 -06:00 |
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1db5643d6e
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Merge pull request #3949 from Yi-FanLi/pimd_langevin_fix_t_prim
fix pimd/langevin: fix a small bug in the output of t_prim
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2023-10-21 11:58:50 -04:00 |
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710cd1c001
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Merge branch 'lammps:develop' into mliap_null_fix
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2023-10-21 04:08:19 -06:00 |
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80f72e7a1d
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use times inverse_np instead
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2023-10-21 00:28:33 -04:00 |
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3d480a01a5
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add the missing dividing by np in compute t_prim
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2023-10-20 23:41:06 -04:00 |
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58d299d08e
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Merge pull request #3948 from lammps/fix-srd-doc-page
Update citations on fix srd doc page
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2023-10-20 22:14:19 -04:00 |
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1064c82c00
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Cleaned of print statements
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2023-10-20 18:56:20 -06:00 |
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fd05acec2f
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fix spelling
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2023-10-20 20:54:05 -04:00 |
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4aedba058c
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Merge branch 'develop' into fix-srd-doc-page
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2023-10-20 20:47:17 -04:00 |
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