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01bbb28418
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Merge pull request #3135 from akohlmey/next_patch_release
Step version strings for the next patch release
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2022-02-17 15:05:43 -05:00 |
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8b627f92f0
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address spelling and achor issues, and integrate into style overview tables
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2022-02-16 08:10:29 -05:00 |
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08968cbdbf
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apply clang-format
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2022-02-16 06:14:19 -05:00 |
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32cde04000
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Merge branch 'develop' into ilp-for-tmds
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2022-02-16 06:04:34 -05:00 |
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a7939b582a
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step version strings for the next patch release
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2022-02-15 22:10:06 -05:00 |
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e3222a4bd0
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Merge pull request #3126 from Bibobu/EAM_alloy_python_script
Added Python version of Zhou04_create_v2.f in eam_database
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2022-02-14 19:48:51 -05:00 |
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baf443766a
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fix a few typos or mistyped words and explain some details better
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2022-02-14 16:09:52 -05:00 |
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f84790ba62
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add a more specific example to explain how values are rejected and how atoi() fails
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2022-02-14 15:52:33 -05:00 |
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37cd4ba2ea
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spelling
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2022-02-14 11:55:09 -05:00 |
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1a436c5aa9
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fix some broken links
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2022-02-14 11:55:04 -05:00 |
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fbf95c2cbc
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add notes about file parsing
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2022-02-14 11:54:50 -05:00 |
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1a6b627fa0
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add section about memory allocations
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2022-02-14 11:54:37 -05:00 |
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12f746046f
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finalize {fmt} lib info
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2022-02-14 08:45:55 -05:00 |
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810717bfe5
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discuss stdio vs iostreams and fmtlib
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2022-02-13 16:01:27 -05:00 |
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1ab5b9d7fd
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re-sort list of false poisitives alphabetically with "sort"
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2022-02-13 16:01:26 -05:00 |
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1c7e1faeff
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add sections on inheritance, compositing, polymorphism
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2022-02-13 16:01:14 -05:00 |
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6887a16fa1
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start add general code design doc.
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2022-02-13 16:00:51 -05:00 |
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d85788305d
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update manual
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2022-02-12 10:37:09 -05:00 |
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75dc7125e6
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Update doc of pair sw/mod
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2022-02-12 06:12:12 +02:00 |
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e5dec93a1e
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Update doc of pair ilp/graphene/hbn
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2022-02-12 06:09:29 +02:00 |
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922b240678
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Interlayer Potential for TMDs and Metal Surfaces
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2022-02-12 06:05:11 +02:00 |
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ea94095bf6
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Change email in docs
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2022-02-11 12:51:47 -05:00 |
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ecd072a286
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address spelling issues
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2022-02-11 09:03:59 -05:00 |
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60d03f34cc
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update create.f with changes from NIST database
also add parameters for Cr and document in README file and change
the code to create output files with .eam.alloy extension
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2022-02-10 14:41:25 -05:00 |
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c2ef4425c6
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Update doc/utils/check-styles.py
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2022-02-10 12:02:23 -05:00 |
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bae6526b5f
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Add missing doc entry
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2022-02-04 17:55:37 -05:00 |
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293d529ee9
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Add lammps_flush_buffers() library function
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2022-02-04 10:40:05 -05:00 |
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a124ee4f44
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Merge pull request #2233 from charlessievers/OptimizedDynamicalMatrix
Dynamical_matrix and third_order features+update
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2022-01-31 12:57:28 -05:00 |
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dad72a612a
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correct statement (PPPM **does** support triclinic for a while already)
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2022-01-29 08:18:08 -05:00 |
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481bcfcd14
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spelling
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2022-01-29 08:12:28 -05:00 |
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fbecf0051e
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Merge remote-tracking branch 'upstream/develop' into numdiff-stress
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2022-01-28 18:36:27 -07:00 |
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a9481733a0
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Finished debugging, testing, documenting
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2022-01-28 18:34:30 -07:00 |
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2a3a7c387b
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Merge pull request #3103 from tc387/CR-update
fixed ewald self-energy update and updated documentation
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2022-01-28 16:37:11 -05:00 |
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e76c8bbaa3
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spelling
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2022-01-28 14:52:31 -05:00 |
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4225c6c288
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whitespace
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2022-01-28 14:48:34 -05:00 |
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d6a6f64576
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Merge pull request #3090 from rbberger/modernize_use_override
Modernize to C++11: use override
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2022-01-28 14:10:45 -05:00 |
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17cb137f3e
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Merge branch 'master' into OptimizedDynamicalMatrix
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2022-01-28 11:08:31 -08:00 |
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e4fe0a37a1
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fixed ewald self-energy update and updated documentation
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2022-01-27 16:48:22 -06:00 |
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d51017ff50
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Merge pull request #3095 from akohlmey/collect-small-changes
Collected small changes and fixes
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2022-01-26 12:04:44 -05:00 |
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0b693e729d
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Whitespace
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2022-01-24 17:33:36 -07:00 |
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c914fc6baf
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Small doc tweak
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2022-01-24 16:33:11 -07:00 |
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67af170929
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Sorting is not required for balancing
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2022-01-24 16:22:55 -07:00 |
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aeb25b5a37
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Tweak docs
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2022-01-24 15:28:40 -07:00 |
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1d60e4c463
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Add docs
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2022-01-24 15:16:49 -07:00 |
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7aed8954a5
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Add paragraphs in Modify_style.rst
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2022-01-22 11:03:44 -05:00 |
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3311b1344c
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consolidate pair-wise vs pairwise spelling
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2022-01-21 10:48:35 -05:00 |
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3a6bd2e698
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update comment about pair_write restrictions
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2022-01-21 10:47:49 -05:00 |
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1e7969c7b9
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add new pair styles harmonic/cut and harmonic/cut/omp
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2022-01-15 19:34:47 -05:00 |
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e3dd2908d9
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Step version strings for the next patch release
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2022-01-06 19:42:45 -05:00 |
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1f924e9fc1
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Merge pull request #3071 from akohlmey/collected-small-changes
Collected small changes and bug fixes
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2022-01-06 19:22:30 -05:00 |
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