Commit Graph

93 Commits

Author SHA1 Message Date
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
d4ea5ca49e more clang-tidy fixes after re-running it with added settings 2022-05-14 07:18:05 -04:00
78c10bac4a clang-format update 2022-04-23 13:08:11 -04:00
115962db88 Merge branch 'develop' into remove-error-docs-in-header 2022-04-23 12:46:54 -04:00
79a7d2abf6 remove error docs from header files 2022-04-22 23:31:15 -04:00
69d9c5187e refactor group access, enable and apply clang-format 2022-04-15 15:29:43 -04:00
b64e90dfe0 simplify. avoid XXXINT_FORMAT macros 2022-03-30 23:43:28 -04:00
27d2fab951 simplify processing for "*" in filenames for embedding timestep by using utility function 2022-03-29 06:06:48 -04:00
586cf6c3bf Apply override to Dump classes 2022-01-20 16:58:23 -05:00
7018ba65be Merge branch 'time-dumps2' of github.com:lammps/lammps into time-dumps2
# Conflicts:
#	src/dump_xyz.cpp
2021-12-23 15:18:56 -05:00
b7dba37e2e Merge branch 'time-dumps2' of github.com:lammps/lammps into time-dumps2 2021-12-23 14:34:00 -05:00
6a442e1df4 use compute_time() func in xyz output 2021-12-21 14:05:16 -07:00
6f6b384c55 Merge branch 'time-dumps2' of github.com:lammps/lammps into time-dumps2
# Conflicts:
#	src/dump_xyz.cpp
2021-12-21 15:56:19 -05:00
576e787839 make xyz dumps print out current simulation time 2021-12-21 12:18:26 -07:00
ded48cc031 more optimizations and extend to other dump styles 2021-12-21 10:57:42 -07:00
2fba6b44e4 use '= default' when default functions should be used 2021-10-13 23:59:05 -04:00
6a9bb577cf rename "zip" functions to "compress" functions. update related docs 2021-10-07 12:38:11 -04:00
1ba77e1629 apply utils::logical() in more places 2021-09-21 14:15:02 -04:00
bca99f684f update list and order of include files from include-what-you-use analysis 2021-09-18 14:16:48 -04:00
385220fd4b format changes 2021-09-17 22:50:15 -04:00
9a19a814e4 apply clang-format to packages 2021-08-23 21:06:33 -04:00
d041e5cba0 we require at least zstd API version 1.4 2021-07-06 13:39:07 -04:00
09c19a936b update URLs in source code and manual 2021-05-24 14:18:20 -04:00
7fcd449864 apply clang-format to all headers with some exceptions 2021-05-14 19:16:07 -04:00
d8291eea7b Merge branch 'master' into prepare-clang-format
# Conflicts:
#	src/MOLECULE/bond_fene.h
#	src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
d1941392d3 disable clang-format for all existing .cpp files (for now) 2021-05-05 23:53:38 -04:00
22e93468d6 simplify code by appling varargs messages and warnings 2021-05-05 18:19:12 -04:00
a1665fddc8 next iteration of preparing for clang-format 2021-04-30 13:51:14 -04:00
04ee87af0c Merge branch 'master' into prepare-clang-format 2021-04-30 13:29:45 -04:00
980244dd0c add protection comments 2021-04-27 22:31:01 -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
4738337e47 update/trim list of include files according to the IWYU principle 2021-04-24 13:22:39 -04:00
df7fe4431f make LAMMPS homepage URL and C++ indicator comments consistent 2021-04-22 21:26:07 -04:00
d8c68dec6f whitespace fixes 2021-04-12 23:32:26 -04:00
dba3cce883 Make dump xyz/gz, xyz/zstd compatible to 'buffer no' option 2021-04-12 20:03:58 -04:00
47814292a1 Make dump cfg/gz, cfg/zstd compatible to 'buffer no' option 2021-04-12 19:57:27 -04:00
e5ee210f58 Make dump atom/gz, atom/zstd compatible to 'buffer no' option 2021-04-09 18:02:55 -04:00
242881af55 Make dump custom/gz, custom/zstd compatible to 'buffer no' option 2021-04-09 17:46:59 -04:00
234c755507 Add missing types in dump local 2021-04-09 17:21:33 -04:00
511f64fde4 Update dump custom/gz 2021-04-09 16:36:30 -04:00
c17ee12989 Update dump xyz/gz 2021-04-09 15:57:17 -04:00
cf41ea6faf Update dump local and local/gz 2021-04-09 15:42:28 -04:00
2682663df6 Use GzFileWriter in dump cfg/gz 2021-04-09 11:41:45 -04:00
ded22bf8bc Minor changes to dump_atom_gz/dump_atom_zstd 2021-04-09 11:36:10 -04:00
213fc06321 Add GzFileWriter implementation 2021-03-29 18:05:04 -04:00
1f50557b38 Adopt utils::strdup in dump styles 2021-03-19 15:34:43 -04:00
51a20175c9 more code formatting consistency changes for loops and conditionals 2020-12-30 09:47:45 -05:00