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564a8e88c1
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use blanks on both sides of comparison operators not only one, remove blanks next to parenthesis
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2023-07-11 10:31:16 -04:00 |
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4d8ef552c4
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remove dead code, trim namespace imports
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2023-07-10 22:42:49 -04:00 |
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c63c9711d5
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update remaining ellipsoid example dump output for OVITO compatibility
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2023-07-10 19:42:48 -04:00 |
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a4b3306b7c
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fix error message
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2023-07-10 18:48:13 -04:00 |
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cb27cb644f
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2023-07-10 13:11:24 -04:00 |
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254afdd938
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Merge pull request #3849 from jibril-b-coulibaly/doclink
fix typo for broken links in doc
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2023-07-10 13:10:38 -04:00 |
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469ffc7aba
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Merge pull request #3845 from ndtrung81/dielectric-updates2
Update and bugfix for the DIELECTRIC package
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2023-07-10 11:50:23 -04:00 |
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55343d715c
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update URL
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2023-07-09 21:39:51 -04:00 |
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2607212363
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update for upstream changes
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2023-07-09 21:21:39 -04:00 |
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63c28337ab
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Merge branch 'develop' into collected-small-fixes
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2023-07-09 21:20:07 -04:00 |
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91b16c5945
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make certain conductivity class member is always initialized
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2023-07-09 21:10:44 -04:00 |
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0718114a67
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fix typo for broken links in doc
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2023-07-09 17:43:39 -06:00 |
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75a2557e82
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fix bugs where an Atom::tag value was stored in an int and not a tagint
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2023-07-09 15:41:39 -04:00 |
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651ed1960d
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add per-atom data bugfix from Stan for fix ave/histo and fix ave/histo/weight
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2023-07-07 18:29:28 -04:00 |
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6a8ca34ce8
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Merge pull request #3843 from dsbolin/gran_heat
Minor bug fix and enhancements for granular heat transfer
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2023-07-06 21:09:23 -04:00 |
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8665da6824
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Merge pull request #3842 from lammps/rigid-gravity-doc
Add gravity keyword info to fix rigid doc page
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2023-07-06 15:36:43 -04:00 |
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6f289df980
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enable and apply clang-format
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2023-07-06 15:05:36 -04:00 |
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6d8f5a38ea
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improve error messages
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2023-07-06 15:03:38 -04:00 |
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bf0372280e
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remove dead code
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2023-07-06 14:59:09 -04:00 |
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3e4b66378a
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typo
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2023-07-06 14:06:31 -04:00 |
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55b7b3d999
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whitespace fixes
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2023-07-06 14:03:07 -04:00 |
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b66a5cd225
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fix another typo
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2023-07-06 13:31:00 -04:00 |
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cac8247383
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Modified doc page for pair granular to include flux as extra pairwise quantity
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2023-07-06 11:19:22 -06:00 |
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6e41ac7ead
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fix typo
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2023-07-06 09:14:00 -07:00 |
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02845483d2
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add gravity keyword info to fix rigid doc page
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2023-07-06 09:08:15 -07:00 |
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8ae5ab57fc
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non-ellipsoid particles you have a 1,0,0,0 quaternion and 1,1,1 shape
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2023-07-06 09:17:27 -04:00 |
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fcf30f4c58
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modernize example for dumping ellipsoid info to visualize with OVITO
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2023-07-06 09:16:58 -04:00 |
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146245e6ae
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Merge pull request #3834 from lammps/mdi-wrapper-tweak
Make QM wrappers more MDI-compatible with QM energy
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2023-07-06 03:31:20 -04:00 |
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afe2226797
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Merge pull request #3830 from akohlmey/collected-small-fixes
Collected small changes and fixes
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2023-07-06 00:39:42 -04:00 |
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ef3de795c5
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Merge pull request #3839 from stanmoore1/kk_makefiles
Kokkos Makefiles
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2023-07-06 00:37:26 -04:00 |
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ad14862cd0
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Merge pull request #3827 from jtclemm/BPM
Bugfix and documentation corrections for BPM+Granular packages
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2023-07-06 00:35:58 -04:00 |
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d57e1be942
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avoid division by zero in angle style dipole
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2023-07-04 08:13:06 -04:00 |
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9031d79791
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Add Makefile for Perlmutter
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2023-07-03 21:47:47 +00:00 |
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9dd5ceaf4e
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Kokkos Makefiles
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2023-07-03 15:06:23 -06:00 |
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677ff15740
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Gran/heat changes
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2023-07-03 11:52:41 -06:00 |
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268faf935b
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avoid overeager flagging of errors for arguments to derived classes
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2023-07-03 10:32:24 -04:00 |
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d23cebf9f1
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must copy wheel to olddir when -w flag is not given
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2023-07-03 09:53:59 -04:00 |
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b7bfc86eaf
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remove unused files still available and used in download-build-jpeg-png branch
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2023-07-02 07:07:12 -04:00 |
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5878040f26
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skip undesired 'make install' targets from bundled Kokkos library
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2023-07-01 18:44:57 -04:00 |
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900c6cf545
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remove unused variable
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2023-07-01 18:27:35 -04:00 |
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c1213c5222
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use dynamic/dof and extra/dof consistently. remove compatibility note in docs.
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2023-06-30 16:27:07 -04:00 |
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55918ebabf
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sphinx-tabs 3.4.1 is now available directly
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2023-06-30 16:17:04 -04:00 |
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83528f02e8
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whitespace
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2023-06-29 22:10:31 -04:00 |
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02498925c5
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only fail on too small periodic domain in z direction if 3d system.
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2023-06-29 22:07:04 -04:00 |
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ab1e090e0e
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neighbor list skin is added to custom cutoff automatically
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2023-06-29 21:32:04 -04:00 |
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b7024288b6
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add check to disallow custom neighbor list cutoffs larger than the communication cutoff.
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2023-06-29 21:20:07 -04:00 |
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14462d8f80
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join strings
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2023-06-29 16:13:16 -04:00 |
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b0b26d9d3a
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silence compiler warning
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2023-06-29 07:32:52 -04:00 |
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a50993dac1
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update docs for create_bonds
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2023-06-28 10:06:31 -04:00 |
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5d027fc92c
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error out when many bonds creation cutoff is larger than periodic domain
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2023-06-28 09:50:27 -04:00 |
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