45372937db
loads of whitespace fixes
2023-12-01 14:52:47 -05:00
6fe6395ab2
reset quats for ellipsoids for general <-> restriced triclinic
2023-11-03 14:52:41 -06:00
201f8cda9a
more updates
2023-10-12 06:49:59 -06:00
c5b2d66283
upgrades to read/write data commands
2023-09-15 16:49:56 -06:00
e5f3fcbbf4
more work on read_data and write_data
2023-09-13 13:29:37 -06:00
d31f754451
simplify
2023-03-26 17:26:03 -04:00
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
095c610a3f
no more need to explicitly initialize empty fields
2022-04-14 12:00:56 -04:00
b16d48aa41
"stringify" and "vectorize" processing of per-atom attributs in AtomVec classes
2022-04-14 11:06:10 -04:00
e6e9aed385
modernize/correct parsing for Bonus and Bodies sections
2021-12-30 22:58:14 -05:00
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
980fce06de
pretty
2020-10-30 13:21:01 -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
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
...
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
...
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
71f13cee9d
add missing aspherical particle info to restart files
2020-07-09 11:21:59 -04:00
7ee73e44ad
will need ellipsoid field in restart file
2020-07-08 21:18:09 -04:00
4c67822e6b
remove unneeded typecasts
2020-07-07 20:27:01 -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
f16c6f40a7
shape is converted from diameter to radius, so we have to scale back on writing
2020-07-07 12:24:04 -04:00
94d98b6aea
no typecasts needed when outputting ubuf integers with fmtlib auto format
2020-07-07 11:40:01 -04:00
7918919d30
enable write_data for atom styles with bonus data
2020-07-06 17:30:45 -06:00
f1a9eab5da
initialze omega and angmom when read data file
2020-05-15 13:07:34 -06:00
987bff27d4
fix issues in AtomVec refactoring detected by compiler warnings
2020-05-10 14:05:32 -04:00
adc04f87f6
whitespace fixes
2020-05-01 08:24:24 -04:00
b6374bacfb
enable replicate to work with local ptrs
2019-12-18 08:56:03 -07:00
db6d272303
more additions to USER atom styles and bug fixes
2019-12-13 13:54:12 -07:00
ccca80a6a5
changes to enable atom_style hybrid to work
2019-12-02 15:39:54 -07:00
4f6cb13592
added atom styles with bonus data, also a few USER packages
2019-11-27 16:03:50 -07:00
a50d57bceb
Merge branch 'master' into improve-include-consistency
...
# Conflicts:
# src/utils.cpp
2019-07-19 17:57:58 -04:00
02b0fb454f
include rmass[] in border communication. will otherwise trigger issues with fix shake.
2019-07-17 16:34:43 -04:00
2ca2d053fd
Merge branch 'master' into improve-include-consistency
2019-07-10 14:18:42 -04:00
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
...
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
cfaa537296
use alternate implementation of numeric conversion functions
...
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
15e1b39531
validate more numbers read from data files through using force->numeric()/force->inumeric() instead of atof()/atoi()
2019-07-07 15:52:21 -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
03099d6e54
some more include file consistency changes
2019-06-27 17:11:53 -04:00
318dd34737
correct cut-n-paste error
2019-02-17 15:00:04 -05:00
