Commit Graph

101 Commits

Author SHA1 Message Date
4ba604fd37 Merge branch 'collected-small-changes' into reset-command 2022-11-23 13:38:40 -05:00
13fcbeda18 remove "box" command 2022-11-21 13:46:59 -05:00
0635a46891 generalize meta command processing. make better use of std::string class 2022-11-17 22:09:52 -05:00
612a2b2711 add reset meta-command 2022-11-17 21:39:32 -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
4f3f2412fb replace Input::readtype() with utils::expand_type() 2022-09-05 06:16:18 -04:00
f9717049b1 Merge branch 'develop' into type-labels 2022-08-08 17:16:50 -04:00
78c10bac4a clang-format update 2022-04-23 13:08:11 -04:00
79a7d2abf6 remove error docs from header files 2022-04-22 23:31:15 -04:00
e13a70ad2f Merge branch 'develop' into type-labels 2022-03-23 01:08:35 -04:00
df02598fc1 convert one more factory template 2022-02-11 18:38:36 -05:00
576f2266ae Mark virtual destructors in derived as override
Following C++ Core Guideline C.128
2022-01-18 14:28:25 -05:00
83a978d69b error messages 2021-12-07 23:32:14 -05:00
2a06484511 Merge branch 'master' of https://github.com/lammps/lammps into lammps-master2 2021-08-20 10:53:04 -04:00
878795e64a bulk rename of remaining USER- packages 2021-06-29 20:12:59 -04:00
1dc25b0e10 rename USER-OMP to OPENMP 2021-06-29 17:48:22 -04:00
b124de3484 Merge branch 'master' of https://github.com/lammps/lammps into lammps-master 2021-06-07 22:48:51 -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
0beac58e21 some file permissions 2021-04-27 15:38:39 -04:00
1e294111e7 Merge branch 'master' of https://github.com/lammps/lammps into lammps-master 2021-04-27 14:46:33 -04:00
df7fe4431f make LAMMPS homepage URL and C++ indicator comments consistent 2021-04-22 21:26:07 -04:00
75579fc100 take advantage of having the common Command base class to unify code paths 2021-04-14 07:05:00 -04:00
592490be4e add unload/list commands 2021-03-10 09:50:28 -05:00
27a81ffc86 add initial version of a plugin loader interface (for pair styles) 2021-03-09 15:34:48 -05:00
b92adfaf6f pointer and style issues 2021-01-31 14:59:10 -05:00
a119164496 add utf-8 check, substitution, and warning to Input::parse() function 2021-01-25 20:53:59 -05:00
5d2e3b3ecb direct support for coeff commands
pair_coeff, bond_coeff, angle_coeff, dihedral_coeff, improper_coeff
2021-01-25 20:08:25 -05:00
739dc46fab type labels: restart support 2021-01-19 21:52:22 -05:00
e138cf2476 add labelmap command 2021-01-15 21:46:40 -05:00
f88f4cd60e more include file updates 2020-09-02 21:44:04 -04:00
741a1d1fc9 move Input::expand_args() to utils::expand_args() 2020-08-29 18:32:10 -04:00
73a7fb53ff add infrastructure and first example for testing standalone LAMMPS input commands 2020-06-16 12:52:35 -04:00
7ace10238d change interface to Input::write_echo() to accept const std::string 2020-06-11 10:23:44 -04:00
1930a8fd00 make some more use of {fmt} in lammps.cpp 2020-05-27 05:29:42 -04:00
b6b022b610 whitespace cleanup: remove trailing blanks 2019-11-03 11:03:39 -05:00
6833d6def6 Merge branch 'master' into kim-simulator-models
# Resolved Conflicts:
#	src/KIM/kim_query.cpp
#	src/KIM/pair_kim.cpp
2019-07-29 20:43:10 -04:00
ea4107c4b4 add write_echo() method to Input class for logging implicit commands where the echo command would send explicit ones 2019-07-29 16:36:57 -04:00
03d26f6f6f Merge branch 'master' into kim-simulator-models 2019-07-21 13:59:48 -05:00
06dcc9e283 Merge branch 'master' into improve-include-consistency
# Conflicts:
#	src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
6fc5810bb4 with the refactored include handling we can allow include in if/then/else 2019-07-02 01:31:19 -04:00
4ec3a508fc bulk removal of #include <cstdio> from header files 2019-06-27 21:54:07 -04:00
483353a017 Merge remote-tracking branch 'lammps/master' into kim-simulator-models 2019-06-24 15:35:06 -05:00
d10fdda676 simplify nested include file handling 2019-06-23 17:53:52 -04:00
36649f0534 add workaround for handline include files 2019-06-23 16:47:12 -04:00
c6d0f807b5 output messages that would otherwise only show up in logs only when logs are enable for screen or logfile 2019-06-23 14:13:24 -04:00
02e7dd5716 also allow %e in format variables of suffix 2019-05-30 14:52:26 -04:00
1a5c3c6dcb add check that allows only %f and %g conversions in variable format strings 2019-05-30 14:46:07 -04:00
4c021dad37 port spell fixes to source code 2018-11-20 00:09:11 -05:00