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
b1e881d4ff
Merge branch 'develop' into group-bitmap-accessor
2025-01-09 14:37:38 -05:00
719a64d9dd
apply clang-format
2024-10-05 22:25:07 -04:00
7a3dd2231b
Merge branch 'develop' into group-bitmap-accessor
2024-06-21 14:31:55 -04:00
e0228d1f15
Bond history compatability delete atoms
2024-06-11 13:16:34 -06:00
a0939c4fcc
use new bitmap accessor function and simplify code
2024-06-01 17:57:31 -04:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -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
7e6bd892ed
apply clang-format
2022-09-10 03:29:32 -04:00
28925f69f5
re-initialize neighbor lists at end to clear out the occasional list entry
2022-08-28 11:38:01 -04:00
1511611ba3
optimization for large systems when checking overlap on small groups
2022-08-28 07:18:19 -04:00
5f19f3ba8f
correct error messages
2022-08-28 07:16:11 -04:00
dbb3e75f24
change partial to random
2022-05-17 11:02:42 -06:00
f62363516c
streamline the refactored interface for delete_atoms partial some more
2022-05-15 01:56:45 -04:00
90e2d9e966
tweak code comments
2022-05-12 16:51:24 -06:00
042564decd
add deprecation info for old porosity option
2022-05-12 16:48:03 -06:00
905034893c
finished testing of new delete_atoms options
2022-05-06 14:15:41 -06:00
d4f212183e
initial exact logic for delete_atoms partial
2022-05-05 17:45:42 -06:00
2f599bace1
enable and apply clang-format
2022-04-29 22:01:34 -04:00
f5113aa84a
better error messages
2022-04-29 21:59:37 -04:00
31d6af6114
add delete_atoms "variable" option
2022-04-29 21:59:22 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
a0996da644
apply new APIs to a few representative cases
2022-03-02 21:31:35 -05:00
2ba5aeec31
whitespace
2021-12-02 15:30:53 -05:00
4ecb894d9d
simplify by using new API
2021-12-02 15:27:06 -05:00
4a05628938
bug fixes from Doug Spearot
2021-11-30 08:22:38 -07:00
fc5920812f
new group arg for delete_atoms porosity
2021-10-05 13:07:34 -06:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -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
b53822da46
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
c25ef8edb0
fix segfault: must not count bonds on atoms that are not in a molecule
2020-10-28 15:11:19 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -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
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
fc216edf10
simplify create/delete_atoms/bonds
2020-06-03 22:36:51 -04:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
557a1274e4
even more include file cleanup
2019-06-28 07:09:57 -04:00
a0450fbd2b
fix copy-n-modify error
2019-02-17 18:51:15 -05:00
07c1942b13
update global bonus data counters after deleting atoms
2019-02-17 17:14:45 -05:00
4ec05a3389
remove some more trailing whitespace
2018-12-01 08:14:02 -05:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
5fd17670b1
new reset_ids command and dump_modify delay option
2018-03-28 11:31:35 -06:00
