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multiscale
lammps
Commits
91b40757
Commit
91b40757
authored
6 years ago
by
jrgissing
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docfix
remove mention of as yet unreleased feature
parent
caa99074
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doc/src/fix_bond_react.txt
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doc/src/fix_bond_react.txt
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doc/src/fix_bond_react.txt
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91b40757
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@@ -261,12 +261,10 @@ angles, dihedrals or impropers are supported.
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@@ -261,12 +261,10 @@ angles, dihedrals or impropers are supported.
A few capabilities to note: 1) You may specify as many 'react'
A few capabilities to note: 1) You may specify as many 'react'
arguments as desired. For example, you could break down a complicated
arguments as desired. For example, you could break down a complicated
reaction mechanism into several reaction steps, each defined by a fix
reaction mechanism into several reaction steps, each defined by its
bond/react. 2) While typically a bond is formed between the bonding
own 'react' argument. 2) While typically a bond is formed between the
atom pairs specified in the pre-reacted molecule template, this is not
bonding atom pairs specified in the pre-reacted molecule template,
required. 3) By reversing the order of the pre- and post-reacted
this is not required.
molecule templates in another 'react' argument, you can allow for the
possibility of one or more reverse reactions.
The optional keywords deal with the probability of a given reaction
The optional keywords deal with the probability of a given reaction
occurring as well as the stable equilibration of each reaction site as
occurring as well as the stable equilibration of each reaction site as
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