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63fcdb6e52
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Merge pull request #4634 from akohlmey/static-analysis-updates
Updates for LAMMPS from static code analysis
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2025-06-29 22:25:15 -04:00 |
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cd44539429
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modernize by using anonymous namespace
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2025-06-29 19:56:42 -04:00 |
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47332f8e46
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no need to make member const
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2025-06-29 19:28:00 -04:00 |
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fee96bc777
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make double to bool/int/tagint conversions explicit
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2025-06-29 19:10:29 -04:00 |
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b279ba9a40
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follow one definition rule by moving functions into class definition
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2025-06-29 18:47:40 -04:00 |
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0c68c4d493
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Merge pull request #4636 from wapisani/fix_bond_create_inter_intra
Add support for inter-/intra-molecular bonding to fix bond/create
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2025-06-28 09:43:54 -04:00 |
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3e12c3f773
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flag move constructor and swap operator as noexcept for performance
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2025-06-28 05:21:25 -04:00 |
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7bc86899b3
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type fixes and error message updates
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2025-06-28 05:20:49 -04:00 |
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ac7013432b
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don't use double as boolean, use qualified auto
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2025-06-28 04:48:47 -04:00 |
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039fb94faa
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improve errors and apply clang-format
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2025-06-28 04:45:02 -04:00 |
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8c64b2090f
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process tilt parameters correctly and consistent with FixNH class
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2025-06-28 04:38:10 -04:00 |
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77417e2223
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use correct type
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2025-06-28 04:37:24 -04:00 |
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2e4f29c900
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use correct type and converions function
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2025-06-28 04:24:46 -04:00 |
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8dae514e03
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use correct types
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2025-06-28 04:06:36 -04:00 |
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22a42446d3
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tap_flag is integer and thus we should use utils::inumeric()
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2025-06-28 03:58:27 -04:00 |
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2968bfa8d9
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nsvector_total should be an int
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2025-06-28 03:53:34 -04:00 |
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669f60b692
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use qualified auto and avoid redundant types
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2025-06-28 03:51:09 -04:00 |
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1bdf30103f
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used correct type parser and make conversions explicit
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2025-06-28 03:50:51 -04:00 |
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4992caed95
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more modernization of DIFFRACTION package
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2025-06-28 03:37:42 -04:00 |
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f425f2ab26
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modernize
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2025-06-28 03:30:10 -04:00 |
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309e374867
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use utils::inumeric() for parsing integers, using qualified auto
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2025-06-28 03:19:17 -04:00 |
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d5a344a5c8
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modernize
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2025-06-28 03:18:52 -04:00 |
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481749dc35
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modernize argument processing and error messages
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2025-06-28 03:07:17 -04:00 |
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14b1241db2
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use utils::inumeric() for reading integer arguments
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2025-06-28 03:05:03 -04:00 |
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4d26bd5fd5
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ndouble is an int
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2025-06-28 03:04:44 -04:00 |
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5fe4c9149f
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use qualified auto
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2025-06-28 03:04:33 -04:00 |
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a24aeb3fc6
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icut, jcut should be doubles
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2025-06-28 03:04:23 -04:00 |
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0cd4ea4d04
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don't use doubles as boolean
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2025-06-28 02:34:58 -04:00 |
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8726deb9b6
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newton_bond is int not double
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2025-06-28 02:34:39 -04:00 |
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46561f57bd
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use utils::inumeric() to parse integers
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2025-06-28 02:34:22 -04:00 |
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aacc30c4d7
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no benefit from declaring _tid const
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2025-06-28 02:33:55 -04:00 |
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2833b7adbd
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make cast to double explicit
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2025-06-28 02:33:38 -04:00 |
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11c4a8b49c
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use math.h function without std:: prefix
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2025-06-28 02:22:25 -04:00 |
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c28869124b
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don't truncate cuberoot to single precision
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2025-06-28 02:22:09 -04:00 |
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bd98354691
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make cast to double precision explicit
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2025-06-28 02:17:25 -04:00 |
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109aec74ea
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remove one more implicit truncation of precision. update unit test again.
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2025-06-28 02:06:49 -04:00 |
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588ed11e85
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avoid comparison with different signedness
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2025-06-28 02:01:48 -04:00 |
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be5602c44f
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apply clang-format
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2025-06-28 02:01:32 -04:00 |
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e78d85725b
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convert to internal linkage with anonymous namespace
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2025-06-28 02:01:23 -04:00 |
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1b36451f6a
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modernize. turn static inline into just inline
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2025-06-27 23:58:11 -04:00 |
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d168de00db
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silence compiler warnings
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2025-06-27 23:57:37 -04:00 |
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0c6ce8f23c
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fix typo
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2025-06-27 23:27:44 -04:00 |
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3ffe858a8b
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remove dead code and protect from neighbor list with special neighbors
this addresses most of issue #4639
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2025-06-27 23:25:15 -04:00 |
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c279d194dc
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be paranoid about invalid molecule templates
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2025-06-27 22:47:50 -04:00 |
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6b58058bca
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memory is accumulated in doubles not ints
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2025-06-27 22:38:48 -04:00 |
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0b73966a23
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avoid unneeded copies by using const references where allowed
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2025-06-27 22:36:23 -04:00 |
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5cecfb5c4d
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use explicit type cast
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2025-06-27 22:20:41 -04:00 |
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d2d613c8b4
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bugfix: incorrect application of abs() to doubles
@jtclemm this looks like a real bug.
Can you please check how much of an impact this change has?
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2025-06-27 22:20:32 -04:00 |
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8ddd474145
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use qualified auto, make implicit type casts explicit
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2025-06-27 22:13:44 -04:00 |
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a8fe7e9252
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modernize
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2025-06-27 22:13:16 -04:00 |
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