7878ec170c
Merge pull request #4501 from lammps/errors-more-cleanup
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[Community Project] More Error and Warning Messages Cleanup
2025-03-25 17:52:08 -04:00
1b58a4695b
add explanations for "before/after simulation box is defined" errors
2025-03-21 20:30:47 -04:00
12b6b797b8
simplify
2025-01-09 14:47:20 -05:00
b1e881d4ff
Merge branch 'develop' into group-bitmap-accessor
2025-01-09 14:37:38 -05:00
e91b5dce78
fix typos
2024-10-25 18:52:50 -04:00
9a295d73b6
Merge branch 'develop' into group-bitmap-accessor
2024-08-31 00:07:46 -04:00
cdbec96e07
enable and apply clang-format
2024-08-21 09:00:11 -04:00
7a3dd2231b
Merge branch 'develop' into group-bitmap-accessor
2024-06-21 14:31:55 -04:00
279b218af1
fix logic bug
2024-06-01 16:45:39 -04:00
44ec209796
direct type label for group
2024-04-22 00:29:23 -04:00
3ffa5908ca
add get_bitmask_by_id() accessor to Group class
2024-02-27 10:16:34 -05:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
996b542ea1
remove '.'
2023-01-20 10:37:09 -05:00
8f2c3cfda9
improve error messages for group command and more unit tests
2023-01-18 16:06:02 -05:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
91b98484ad
modernize and simplify
2022-08-11 03:45:36 -04:00
aa4787f604
complete region handling refactor
2022-04-16 00:17:39 -04:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
4b400fb4a6
overload count() function to pass in Region pointer directly
2022-04-14 22:00:50 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
8bf016eaef
use references when looping over fixes from list
2021-10-25 21:41:57 -04:00
d0416757b7
simplify using new APIs
2021-10-24 18:00:15 -04:00
bca99f684f
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
6b04ebd617
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
e9e0bb71b6
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fe063b27c7
silence compiler warnings
2021-04-23 15:51:16 -04:00
d2cdb318ab
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
fcf17a709e
Don't store group if initial assignment failed
2021-04-20 14:24:07 -04:00
aba4dfc42e
Avoid leaking memory in error cases
2021-04-20 14:06:53 -04:00
fab571cf6b
IWYU reported header updates
2021-04-13 00:47:49 -04:00
31726f56e6
refactor group2ndx and ndx2group commands to use fmtlib, tokenizer and utils
2021-03-28 14:48:39 -04:00
2e45c84c6a
Merge pull request #2655 from akohlmey/collected-refactoring
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Collected small code refactoring changes
2021-03-16 18:39:30 -04:00
68b6296f90
accept negative numbers for group definition by id
2021-03-15 21:53:27 -04:00
154ae86469
fix bug
2021-03-15 21:42:43 -04:00
11ff1fecf9
use ValueTokenizer to parse group range selector string with strict syntax check
2021-03-14 19:10:44 -04:00
0062645cbc
check for Atom::molecule_flag instead of Atom::molecular when using molecule ID only
2021-03-14 00:48:36 -05:00
0cdd433eca
better error checking
2021-03-13 22:52:37 -05:00
7936a6296f
simplify
2021-03-13 22:52:25 -05:00
9c13361a17
avoid calling strtok() in group command
2021-03-13 18:33:42 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f5998692d0
Merge branch 'master' into math_eigen
2020-09-15 21:37:05 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
eb6f7f9740
Merge branch 'master' into math_eigen
2020-09-06 10:59:20 -07:00
57f82abae3
updated all code in LAMMPS to use the open-source "math_eigen.h" instead of "math_extra.h". Code in "lib" now uses its own abbreviated local version of the "math_eigen.h" file (which is named "jacobi_pd.h"), since it is not clear how code from "lib/" can access the code in "src/"
2020-09-05 01:39:27 -07:00
390c6ba106
rechecking some corefiles with IWYU after the many updates
2020-09-03 15:28:07 -04:00
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
