a3c0be875e
include-what-you-use updates
2022-12-11 22:46:54 -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
42a4fba390
implement better checking for atom_style arguments and remove redundant code
2022-05-14 15:43:11 -04:00
b16d48aa41
"stringify" and "vectorize" processing of per-atom attributs in AtomVec classes
2022-04-14 11:06:10 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
3caa066c28
simplify/optimize code
2021-09-15 16:23:07 -04:00
d024dc0e09
whitespace fixes
2021-07-15 15:12:04 -04:00
0f0059269d
Modified data_bonds_post() and calling structure
2021-07-15 13:36:40 +01:00
65e2d8fd5e
Added data_bonds_post2() method for testing purposes
2021-07-05 17:29:11 +01:00
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
8541b0da3e
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
ece2433208
use utils::strdup() for duplicating strings
2021-03-15 17:55:19 -04:00
4b69693b89
correct/improve warning messages related to per-atom properties
2020-12-14 18:24:50 -05:00
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
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
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Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
618b08dcfc
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
0183e999c9
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -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
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
e459ee8a58
whitespace fixes
2020-07-07 20:25:59 -04:00
88fc9360c0
resolve conflicts
2020-07-07 11:46:05 -06:00
955bff7c4e
add body support, change bonus buf to 1d so can be variable length
2020-07-07 11:34:30 -06:00
bdac1ae3e7
add missing return statements
2020-07-07 11:14:52 -04:00
7918919d30
enable write_data for atom styles with bonus data
2020-07-06 17:30:45 -06:00
971ca4fe44
add missing lines for atom_vec comm bugfix
2020-06-30 19:20:34 -04:00
9279431593
bugfix for hybrid atom styles from @sjplimp fixing bug reported by @ohenrich
2020-06-30 18:34:46 -04:00
b34b58c713
must not delete atom substyles twice
2020-06-30 13:27:27 -04:00
3c78ad0a70
make more use of std::string and fmtlib where beneficial
2020-06-25 21:13:14 -04:00
81d937ee97
Performance optimization of Tokenizer
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Reduces string allocations and removes std::vector from Tokenizer
Most processing now happens on-demand.
2020-06-11 00:22:04 -04:00
e4d6970ac1
Fix whitespace
2020-05-29 16:32:17 -04:00
807130c771
Replace AtomVec::tokenize and use Tokenizer
2020-05-20 15:50:10 -04:00
cc18177153
Whitespace cleanup
2020-05-07 10:46:32 -06:00
71149768c6
fix atom_vec_hybrid bug
2020-05-07 10:42:40 -06:00
adc04f87f6
whitespace fixes
2020-05-01 08:24:24 -04:00
ccc8f29d60
added support for USER-AWPMD package
2019-12-18 12:04:37 -07:00
b6374bacfb
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
ccca80a6a5
changes to enable atom_style hybrid to work
2019-12-02 15:39:54 -07:00
6c18e366d7
changes to start to make atom style hybrid work
2019-11-26 18:34:51 -07:00
11a3fd6ce4
Merge pull request #1556 from lammps/bug-maxexchange
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more robust version of atom exchange size
2019-07-30 17:09:18 -04:00
2ca2d053fd
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
89af88bd10
more changes to robustify comm buf_send length
2019-07-10 08:41:27 -06:00
054ff97a51
replace ATOTAGINT() calls with utils::tnumeric() in AtomVec classes
2019-07-10 00:27:31 -04:00
93748a18ae
further clean up of AtomVec classes after merging PR #1552 to master
2019-07-10 00:22:03 -04:00
06dcc9e283
Merge branch 'master' into improve-include-consistency
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# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
cfaa537296
use alternate implementation of numeric conversion functions
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these new functions allow to choose between aborting with Error::one()
and exiting with Error::all(). in the long run those should replace
all of the functions in Force.
2019-07-08 17:51:37 -04:00
