01212881d2
clarify docs
2021-05-26 00:05:21 -04:00
c723fe2345
Update fix_bond_react.rst
2021-05-25 23:54:43 -04:00
3173b39444
Update fix_bond_react.rst
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restore original docs
2021-05-11 01:26:37 -04:00
024725c3e0
notation update
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constraints can be grouped logically with curly brackets now, instead of parentheses
2021-04-15 16:19:09 -04:00
21a38c203a
bond/react: custom constraint docs
2021-04-15 16:11:39 -04:00
11d99d9513
Merge pull request #2545 from akohlmey/citation-refactor
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Refactor citation handling in LAMMPS
2021-02-10 18:19:21 -05:00
9995bef911
file permissions
2021-02-05 17:50:23 -05:00
e5ead83c8f
near->overlap keyword update
2021-02-04 15:33:45 -05:00
de5ba601f2
Update fix_bond_react.rst
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manual rebase
2021-02-04 13:41:58 -05:00
6428e542db
document updated citation reminder
2021-01-08 18:29:15 -05:00
a7fa4739f5
update reference
2020-12-15 11:39:14 -05:00
bffd87a84f
clarify docs
2020-12-02 13:02:10 -05:00
64f7ea6c38
docs for boolean constraint logic
2020-12-02 13:02:09 -05:00
ce3c92d52e
Avoid duplicate doc target
2020-11-30 14:55:35 -05:00
aa129bc218
bond/react: update doc terminology
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change 'bonding atoms' to 'initiator atoms'
(bonds need not form or break between initiator atoms)
2020-11-19 13:29:55 -05:00
337d47ca6c
update docs
2020-11-17 22:46:42 -05:00
64cc0adb9e
bond/react: add new reference
2020-11-11 13:27:34 -05:00
6ece19f919
Update fix_bond_react.rst
2020-11-09 16:29:52 -05:00
958ab461b3
bond/react:molecule keyword docs
2020-11-09 14:06:17 -05:00
406d6e27ce
bond/react: clarify how reactions are searched for
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thanks to Ben Jensen (NASA Langley)
2020-10-26 11:22:35 -04:00
254963cddd
Update fix_bond_react.rst
2020-10-25 21:16:04 -04:00
c2a852ddef
clarify exactly what is used to identify reaction site
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thanks to Øystein Gullbrekken for the suggestion
2020-10-24 13:46:28 -04:00
0b903fa7c2
bond/react: create-atoms-draft-docs
2020-09-21 14:53:30 -04:00
ae9abf0f7d
correctly update docs
2020-09-18 14:10:32 -04:00
55a054a44a
bond/react: default charge update docs
2020-09-16 17:09:48 -04:00
ef50a67169
bond/react: make rmsd constraint lowercase
2020-08-28 11:06:27 -04:00
32aede7769
minor doc clarification
2020-08-27 14:53:09 -04:00
583a09c808
Merge branch 'master' of https://github.com/lammps/lammps into lammps-master
2020-08-27 12:02:08 -04:00
e2fd95d8ed
Merge pull request #2240 from jrgissing/bond/react-reset_mol_ids
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support molecule ID resets in fix bond/react
2020-08-26 10:56:21 -04:00
b776e1ee3c
convert remaining style doc sections to be a logical header
2020-08-21 23:33:41 -04:00
e4ab49c2e5
bond/react: bond-type-checking docs
2020-08-18 18:12:01 -04:00
da91f81d40
bond/react:doc clarification
2020-07-18 13:42:47 -06:00
371a5c5b61
bond/react: reset_mol_ids docs
2020-07-18 12:44:34 -06:00
b75d9b8224
bond/react: RMSD constraint docs
2020-06-26 23:43:08 -06:00
92012ef047
fix permissions
2020-06-06 10:44:09 -04:00
09ce0d1198
rephrase to use more common term
2020-05-31 16:33:37 -04:00
b0f6eafac8
minor doc clarification
2020-05-27 23:37:35 -06:00
60e0a8a6a8
Update fix_bond_react.rst
2020-05-23 23:12:16 -06:00
8fec14f593
Update fix_bond_react.rst
2020-04-26 13:08:40 -06:00
a614242595
allow variable-input for Nevery, Rmin, Rmax keywords
2020-04-25 21:45:43 -06:00
0288bb4b6b
small modification to fix bond/react to allow equal style variables as probability o
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On branch master
Your branch is up to date with 'origin/master'.
Changes to be committed:
modified: doc/src/fix_bond_react.rst
new file: examples/USER/reaction/nylon,6-6_melt/in.large_nylon_melt_variable_probability
modified: src/USER-REACTION/fix_bond_react.cpp
modified: src/USER-REACTION/fix_bond_react.h
2020-04-22 13:27:10 +02:00
0b88950e03
replace '\_' with '_' in plain text where possible
2020-03-13 16:34:57 -04:00
d0f57289fc
finish updating docs for fixes using code-block plus a few other improvements
2020-03-11 12:58:57 -04:00
ae9255e057
collapse multiple empty lines into a single empty line
2020-03-10 15:56:11 -04:00
ec887b37da
Merge branch 'master' of https://github.com/lammps/lammps into bond/react-new-examples-and-package
2020-02-17 21:34:20 -07:00
e4a730d57a
fix bond/react, box/relax, ehex
2020-02-11 16:14:00 +01:00
cdf2f66c0a
delete empty lines at the end of files
2020-01-31 14:03:52 -05:00
ce10fd01a8
remove redundant/obsolete link definitions
2020-01-31 14:00:53 -05:00
e4cf0a07a0
remove more \_ escapes from doc anchors and a bunch of other issues found in the process
2020-01-31 00:45:13 -05:00
a35dc180bd
bond/react: dihedral reaction constraint
2020-01-30 00:28:59 -07:00
