252f48b2c1
Mention bonded force field primer from typelabel paper in bioFF howto
2024-06-26 07:27:11 -04:00
85a2f4bbfa
Merge branch 'lammps:develop' into improve_type_label_support
2024-05-12 23:15:34 -04:00
8fc1a8ec7f
start off with simpler labelmap example
2024-05-11 16:34:17 -04:00
49b5361088
Update labelmap.rst
2024-04-16 00:24:25 -04:00
f557dfdebb
mention typelabel paper
2024-04-11 23:36:11 -04:00
af72a957f8
reorder lines, so syntax highlighting does not get messed up
2023-01-06 10:07:05 -05:00
69034167b8
update versions strings for the next patch release
2022-09-14 16:29:10 -04:00
446cc46bbd
spelling
2022-09-12 19:10:18 -04:00
9b172d66f8
recover non-labelmap functionality with Kokkos. Error out when maps are used with Kokkos
2022-09-10 12:50:45 -04:00
039f8c712a
Update labelmap.rst
2022-09-07 01:10:03 -04:00
ad8a931fe4
revise/refacor Type Label section parsing and Atoms section parsing
...
- do not ignore numeric type in Type Label sections
- refuse invalid numeric types that will overflow arrays
- check for duplicate numeric type entries or non-unique labels
- better error messages
- use Tokenizer class instead of sscanf()
2022-09-04 01:01:36 -04:00
7ecfb77e8d
implement "labelmap write" command
2022-09-03 19:52:07 -04:00
8d9adeef16
clarify comments
2022-09-03 14:13:38 -04:00
fa1584cc17
add "labelmap clear" command, update docs
2022-09-03 12:38:07 -04:00
57346a359a
permit asterisk in type labels
2022-08-22 10:39:05 -04:00
842266cbe5
avoid referencing a suggested type label format
2022-08-22 10:35:09 -04:00
7a3d43b6a7
de-doc multiple label maps
2022-08-09 12:01:47 -04:00
de635cc68d
clarify when complete maps are needed
2021-12-07 13:25:59 -05:00
5cb938f9f6
spelling
2021-12-07 10:09:44 -05:00
14e09b7a75
docs update
2021-12-06 17:47:47 -05:00
20f80dcb46
edits to doc pages
2021-11-19 15:35:36 -07:00
c4330298e1
enforce unique labels when using labelmap command
2021-11-15 23:24:57 -05:00
26fe17a379
doc file permissions
2021-04-27 15:51:25 -04:00
4f219a94aa
nolabel for write_data
...
also bug fixes
2021-01-31 16:37:09 -05:00
e3a6afe1ab
labelmap map/assign docs
2021-01-29 23:38:25 -05:00
add904ea4e
labelmap doc update, for reference
2021-01-28 10:53:44 -05:00
532242f5e1
begin docs
2021-01-19 23:55:32 -05:00
