d7892c8ea4
Update Errors_messages.rst
2022-09-07 00:02:31 -04:00
cfcd5a625d
document type label support for Shake Bond Types
2022-09-06 23:27:03 -04:00
0dc3bccb95
clarify comment handling and parsing. document masses section.
2022-09-06 23:03:26 -04:00
b3c0253976
fix broken formatting
2022-09-06 23:02:59 -04:00
2331f6ddd4
correct label2type() function documentation
2022-09-06 22:03:27 -04:00
3a0b49b5bf
Merge branch 'develop' into type-labels
2022-09-06 19:16:07 -04:00
1d986280ce
rename variable special function to retrieve types for labels to label2type()
2022-09-06 18:56:00 -04:00
75e897b2fe
new utility function "utils::expand_type" to convert type labels to numeric strings
2022-09-05 05:45:31 -04:00
e1960bbb9a
streamline type label howto and remove discussions of not yet available features
2022-09-04 22:52:31 -04:00
fc738ea239
type offsets are only applied to numeric types
2022-09-04 22:12:59 -04:00
cad3cd7d8e
fix a few typos with :doc: references
2022-09-04 17:27:32 -04:00
ad8a931fe4
revise/refacor Type Label section parsing and Atoms section parsing
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- 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
ca6222c12b
implement utils::is_type() convenience function
2022-09-03 23:18:44 -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
b60f144705
more formatting/typesetting consistency
2022-09-03 04:17:22 -04:00
724a7cb554
fix typo
2022-09-02 16:42:14 -04:00
6c8750c041
Merge branch 'develop' into collected-small-changes
2022-09-02 16:41:14 -04:00
b170ab056b
properly link SPH and MACHDYN user guide PDFs from manual
2022-09-02 06:22:35 -04:00
9b41d28947
Merge branch 'develop' into type-labels
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# Conflicts:
# doc/src/dihedral_coeff.rst
2022-09-01 21:09:04 -04:00
566ea864b8
clarify dump_modify doc page meaning for every and every/time
2022-09-01 10:01:08 -06:00
4cff211a5e
clarify dump doc page meaning Nevery = N
2022-09-01 09:53:57 -06:00
22f7255e1d
Merge pull request #3421 from phankl/mesocnt_stable
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Major update to mesocnt styles
2022-08-31 11:54:22 -04:00
0cc6ad8318
cosmetic. silence compiler warnings. remove dead code.
2022-08-31 11:25:35 -04:00
a288507934
corrected friction description
2022-08-31 15:37:30 +01:00
a85fbd83f4
mentioned interpolation range dependence of potential on delta1/2 values in doc
2022-08-31 15:11:01 +01:00
30191462f5
added change and add dates to doc
2022-08-31 12:33:22 +01:00
d874976222
Merge branch 'develop' into collected-small-changes
2022-08-30 14:59:07 -04:00
85965f01ce
spelling
2022-08-30 14:44:01 -04:00
1139cb9345
formatted mesocnt doc files
2022-08-30 17:53:35 +01:00
8a058ec2a0
fixed whitespace
2022-08-30 15:14:34 +01:00
2c0eb10d62
label electron spin with "espin" instead of "spin" but be backward compatible
2022-08-30 06:20:53 -04:00
bfb15c6cc6
support setting electron spin and radius with the set command
2022-08-30 06:11:17 -04:00
978165377d
clarify and correct units of "k"
2022-08-30 05:00:06 -04:00
118b464a53
add example for a 1-d pressure profile
2022-08-29 17:04:48 -04:00
d34f583ae6
Update doc/src/Packages_details.rst
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Co-authored-by: Axel Kohlmeyer <akohlmey@gmail.com >
2022-08-29 22:04:09 +01:00
bdac6d3e05
Merge branch 'develop' into more-set-options
2022-08-29 12:21:17 -04:00
756a8fab18
Merge branch 'lammps:develop' into mesocnt_stable
2022-08-29 12:45:20 +01:00
74bbbb9e17
rename "set spin" to "set spin/atom" and "set spin/random" to "set spin/atom/random"
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this also adds unit tests and improves error checking and messages
2022-08-28 19:24:32 -04:00
6e71318086
fix typo
2022-08-28 11:21:38 -04:00
69b32aef13
Merge remote-tracking branch 'github/develop' into collected-small-changes
2022-08-27 10:12:58 -04:00
4069aa3658
Fixed non-existent dump_custom attribute in dump_modify thresh example
2022-08-26 00:13:31 -05:00
6a3726425d
update MEAM to state of latest PR #3412
2022-08-23 14:20:45 -04:00
60e5ce0dc2
refer to temperature more consistently with :math:T instead of *T*
2022-08-23 05:26:07 -04:00
0b22ad5189
correctly use versionchanged directive
2022-08-23 01:04:49 -04:00
54c928dbce
improve typesetting, record version change, a few more k_B changes
2022-08-23 00:51:36 -04:00
007f7fbbfb
Fixed kT vs k_B T in a couple of places and associated description
2022-08-22 23:46:49 -05:00
0f3c4357c8
Merge branch 'doc-fixes' of github.com:hammondkd/lammps into doc-fixes
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Changed some "dof" to "DOF" as per Axel's preference
2022-08-22 23:29:34 -05:00
5d04e88e28
Changed a couple of "dof" to "DOF" as per Axel's preference
2022-08-22 23:29:24 -05:00
