notation update

constraints can be grouped logically with curly brackets now, instead of parentheses
This commit is contained in:
Jacob Gissinger
2021-04-15 16:19:09 -04:00
parent 21a38c203a
commit 024725c3e0

View File

@ -546,15 +546,15 @@ can be achieved by explicitly adding the logical AND operator "&&" or
the logical OR operator "||" after a given constraint command. If a
logical operator is specified after a constraint, it must be placed
after all constraint parameters, on the same line as the constraint
(one per line). Similarly, parentheses can be used to group
(one per line). Similarly, curly brackets can be used to group
constraints. The expression that results from concatenating all
constraints should be a valid logical expression that can be read by
the :doc:`variable <variable>` command after converting each
constraint to a logical value. Because exactly one constraint is
allowed per line, having a valid logical expression implies that left
parentheses "(" should only appear before a constraint, and right
parentheses ")" should only appear after a constraint and before any
logical operator.
curly brackets "{" should only appear before a constraint, and right
curly brackets "}" should only appear after a constraint and before
any logical operator.
Once a reaction site has been successfully identified, data structures
within LAMMPS that store bond topology are updated to reflect the