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348309582a
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new developer page for comm functions
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2022-02-21 12:43:35 -07:00 |
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78775a82f4
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Merge branch 'develop' into collected-small-changes
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2022-02-21 14:26:50 -05:00 |
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850f1a690c
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Tweak default
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2022-02-21 11:45:07 -07:00 |
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6d790e41fa
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Added bik lastcol behavior to documentation
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2022-02-21 10:19:37 -08:00 |
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c725550fff
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Added in explicit reference column behaviour for bik rows
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2022-02-21 10:08:58 -08:00 |
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2a94d7a9a8
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Remove HIP_OPT defines in pair_reaxff_kokkos
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2022-02-21 11:07:35 -07:00 |
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ed575ee664
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clarify how new pair style command works
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2022-02-21 10:21:28 -07:00 |
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a9c7d47072
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Found parenthesis error in compute_angles(). Now perfect fit with numdiff.
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2022-02-21 10:59:37 +01:00 |
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1dae118419
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Merged A. Thompson symmetric sheared. Added a bit more explicit comment on virial_addon computation.
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2022-02-21 09:40:22 +01:00 |
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67ffef094d
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Switch shear strain fields to symmetric
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2022-02-20 13:51:14 -07:00 |
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f205567fa6
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add born/matrix support to hybrid pair styles
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2022-02-20 07:15:11 -05:00 |
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e4027ba98a
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update example input files
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2022-02-20 06:35:35 -05:00 |
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c1dfd944af
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turn some warnings into errors and produce better error messages
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2022-02-20 06:07:39 -05:00 |
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60a6747c0e
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must propagate and check born_matrix_enable flag
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2022-02-20 05:51:51 -05:00 |
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bd48c49c2b
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enable and apply clang-format
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2022-02-20 05:51:16 -05:00 |
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7d79a7822b
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Merge branch 'develop' into Elastic_stress
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2022-02-20 05:28:42 -05:00 |
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a3c6d19599
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Merged comments modification in EXTRA-COMPUTE/compute_born_matrix from A. Thompson and G. Clavier.
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2022-02-20 11:22:20 +01:00 |
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6ee14bfb97
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correct formatting of references
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2022-02-20 04:26:18 -05:00 |
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c04f4a913f
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Thomas-Fermi
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2022-02-20 07:47:28 +00:00 |
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bc8d1e0f84
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Tweaked one comment
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2022-02-19 20:55:37 -07:00 |
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407df3127b
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Cleaned up source files
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2022-02-19 20:21:02 -07:00 |
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4ca5441cf1
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Updated documentation
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2022-02-19 19:25:02 -07:00 |
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61377f41ad
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Replaced Si.sw with a simlink to potentials dir
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2022-02-19 18:01:37 -07:00 |
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f1f2cebf98
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Rearranged the directory tree for ELASTIC_T and BORN_MATRIX
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2022-02-19 17:59:27 -07:00 |
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c8ae3c45ac
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Removed cij_nvt directory and updated RADME
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2022-02-19 17:09:39 -07:00 |
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335fa2e742
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Addd born/matrix numdiff to example
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2022-02-19 17:07:21 -07:00 |
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63a4210391
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Fix bug in history
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2022-02-19 08:33:47 -07:00 |
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6acf3c8d2a
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Merge pull request #3138 from wmbrownIntel/intel_skip_fix
Bug fix for Intel package skip lists with multiple runs.
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2022-02-19 05:55:11 -05:00 |
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3ddcd3308f
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Add documentation for bikflag
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2022-02-19 00:46:56 -08:00 |
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d619477195
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Merge remote-tracking branch 'upstream/develop' into chem_snap
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2022-02-19 00:23:30 -08:00 |
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36edecd1e7
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Added in ability to keep bispectrum descriptors per atom instead of summed. (Useful for non linear models)
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2022-02-19 00:20:43 -08:00 |
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7e876ada13
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Merge branch 'develop' into collected-small-changes
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2022-02-18 21:49:13 -05:00 |
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86cb37f7ad
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Merge pull request #3141 from lammps/developer-doc-tweaks
tweaks to 2 sub-sections of Developer manual
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2022-02-18 21:48:29 -05:00 |
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d88ffcf880
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correct file name
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2022-02-18 21:24:02 -05:00 |
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bfea3c4589
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rename .rst file to match headline
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2022-02-18 21:20:35 -05:00 |
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4dad865aea
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small tweaks and spelling fixes
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2022-02-18 21:19:27 -05:00 |
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49c594be10
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add factory function example
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2022-02-18 21:19:06 -05:00 |
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78f7e96a3f
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grammar tweaks to 2 sub-sections of Developer manual
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2022-02-18 16:45:06 -07:00 |
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39f8ccdb42
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Fixing an overlooked merge conflict
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2022-02-18 15:33:26 -07:00 |
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642b1e25f6
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Updating to develop
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2022-02-18 13:58:38 -07:00 |
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0ecb9addb2
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Fix MPI issues
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2022-02-18 10:58:03 -07:00 |
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7087e78138
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Cleanup
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2022-02-18 10:23:34 -07:00 |
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5a95b35fb3
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Adding bondstyle restart and fixing a few labels
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2022-02-18 10:22:08 -07:00 |
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adbbad0c2d
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silence compiler warnings
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2022-02-18 12:13:26 -05:00 |
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c31d79c3a4
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add missing override keywords
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2022-02-18 12:06:06 -05:00 |
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43f5de4dbf
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Give the compiler some help
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2022-02-18 09:57:51 -07:00 |
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8fa297e420
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update comments about building LAMMPS with visual studio
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2022-02-18 11:38:35 -05:00 |
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68dc778d03
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update the note based on the suggestion by @athomps
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2022-02-18 11:38:05 -05:00 |
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b9f5bb60e9
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Fix layout
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2022-02-18 08:08:48 -07:00 |
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c68015ca87
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Bug fix for Intel package skip lists with multiple runs.
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2022-02-18 05:11:34 -05:00 |
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