45372937db
loads of whitespace fixes
2023-12-01 14:52:47 -05:00
612a919e93
more work on read_data and doc pages
2023-11-06 16:56:33 -07:00
1ed8dd6906
add general triclinic options to dump custom
2023-09-04 15:26:55 -06:00
57f6526e53
code cleanup
2023-09-02 18:45:37 -06:00
db72d4b73a
add general tri options to read and write data commands and Domain class
2023-08-31 14:34:37 -06:00
d572d8f051
avoid sprintf() through C++ features and libfmt
2023-01-07 15:47:46 -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
4b842d52e6
Merge branch 'develop' into type-labels
2022-08-22 10:45:48 -04:00
a4faa3aced
modernize using get_fix_by_id()
2022-08-13 01:49:00 -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
c9776dad6f
Apply override to Command classes
2022-01-20 16:35:59 -05:00
83a978d69b
error messages
2021-12-07 23:32:14 -05:00
6a3d163c7c
Update the typelabels interface
2021-11-28 18:55:26 -06:00
8d4956046b
Merge branch 'develop' of https://github.com/lammps/lammps into lammps-develop
2021-11-04 21:20:29 -04:00
adf1beea74
add mechanism to check for known data file section names
...
using this mechanism we can reject custom section names that will
conflict with existing section names and thus avoid misleading errors.
apply this also to fix property atom, where the section name is
determined by the fix ID.
in addition, allow to specify NULL as section name, which will use
the fix ID.
2021-10-28 14:23:27 -04:00
ec1a55b35b
use platform code for reading/writing of compressed text file via a pipe
2021-10-06 15:04:48 -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
a1665fddc8
next iteration of preparing for clang-format
2021-04-30 13:51:14 -04:00
980244dd0c
add protection comments
2021-04-27 22:31:01 -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
b53822da46
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
e21c63192a
relax a requirement
...
relax requirement that all labels for all interactions must be defined
2021-03-20 22:58:52 -04:00
882b221a17
rename arg,narg,maxarg to avoid shadowing in command() function
2021-03-13 17:35:49 -05:00
d7fb74f0be
multi-data-file support for bond, angles, diheddral, impropers
2021-01-11 16:00:37 -05:00
03b697a6e0
labels: introduce framework for multiple data files
...
subsequent data files merge types with first
starting with support for selected atom types sections, will attach small example to PR
2021-01-08 23:22:19 -05:00
48e1d202fe
refactor to use read_data local lmap
...
also add errors to enforce order of read_data sections
2021-01-07 10:37:24 -05:00
fef2d178e4
use vector<string> for type label arrays
2020-12-17 14:21:42 -05:00
af1e96c6df
generalize read typelabel function
...
will greatly reduce code # of lines
2020-12-16 12:43:17 -05:00
e4c7ec6933
read_data: add atomtypelabels section
...
type labels for atoms
2020-12-16 12:26:31 -05:00
4a2d3e95cb
Replace Atom::count_words with utils::count_words
2020-05-20 15:53:19 -04:00
4f6cb13592
added atom styles with bonus data, also a few USER packages
2019-11-27 16:03:50 -07:00
4ec3a508fc
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
55116db8fb
avoid segfault and print more meaningful error message with empty lines in coeff sections
2019-05-20 14:15:04 -04:00
b34dac41c2
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
5221ac2d55
add placeholders to include files for error messges
2018-04-03 17:48:31 -06:00
bba4bd1489
support offsets for molecule IDs (if available) in read_data similar to atomIDs
...
suggested by felipe perez in https://sourceforge.net/p/lammps/mailman/message/36236631/
2018-02-23 18:02:05 -05:00
d5921e9fb9
consolidate and update error message and read_data documentation for the updated read_data command
2017-06-29 16:30:49 -04:00
aa3f4b7690
change the handling of reading "extra XXX per atom", so that the final choice is the larger of the value in the file and the keyword
2017-06-29 16:09:23 -04:00
08271a0200
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-22 17:54:49 +00:00
70aa37e4c8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 15:26:57 +00:00
