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bond/react: doc clarification

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jrgissing
2019-06-01 16:24:37 -06:00
parent 972a7a5c4d
commit 68eab23cf8
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10
doc/src/fix_bond_react.txt
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@ -136,10 +136,12 @@ words, can be customized for each reaction, or reaction step):
A check for possible new reaction sites is performed every {Nevery}
timesteps.
Two conditions must be met for a reaction to occur. First a bonding
atom pair must be identified. Second, the topology surrounding the
bonding atom pair must match the topology of the pre-reaction
template. If both these conditions are met, the reaction site is
Three physical conditions must be met for a reaction to occur. First,
a bonding atom pair must be identified within the reaction distance
cutoffs. Second, the topology surrounding the bonding atom pair must
match the topology of the pre-reaction template. Finally, any reaction
constraints listed in the map file (see below) must be satisfied. If
all of these conditions are met, the reaction site is eligible to be
modified to match the post-reaction template.
A bonding atom pair will be identified if several conditions are met.