fix documentation issues: non-ASCII characters, broken/missing links, formatting

This commit is contained in:
Axel Kohlmeyer 2018-02-21 11:51:25 +01:00
parent 5191071581
commit 38ce56f252
4 changed files with 19 additions and 15 deletions

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@ -683,6 +683,7 @@ package"_Section_start.html#start_3.
"addtorque"_fix_addtorque.html,
"atc"_fix_atc.html,
"ave/correlate/long"_fix_ave_correlate_long.html,
"bond/react"_fix_bond_react.html,
"colvars"_fix_colvars.html,
"dpd/energy (k)"_fix_dpd_energy.html,
"drude"_fix_drude.html,

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@ -39,7 +39,7 @@ react = mandatory argument indicating new reaction specification
fraction = initiate reaction with this probability if otherwise eligible
seed = random number seed (positive integer)
{stabilize_steps} value = timesteps
timesteps = number of timesteps to apply internally created nve/limit :pre
timesteps = number of timesteps to apply internally created nve/limit.html :pre
:ule
[Examples:]
@ -85,7 +85,7 @@ with fix/bond react.
Only one 'fix bond/react' command can be used at a time. Multiple
reactions can be simultaneously applied by specifying multiple 'react'
arguments to a single 'fix bond/react' command. This syntax is
necessary because the common keywords are applied to all reactions.
necessary because the 'common keywords' are applied to all reactions.
The {stabilization} keyword enables reaction site stabilization.
Reaction site stabilization is performed by including reacting atoms
@ -178,7 +178,7 @@ description of the file. Lines can have a trailing comment starting
with '#' that is ignored. If the line is blank (only whitespace after
comment is deleted), it is skipped. If the line contains a header
keyword, the corresponding value(s) is read from the line. If it
doesnt contain a header keyword, the line begins the body of the
doesn't contain a header keyword, the line begins the body of the
file.
The header contains one mandatory keyword and one optional keyword.
@ -203,8 +203,7 @@ order. The value(s) are read from the beginning of the line. Thus the
keyword 'equivalences' should be in a line like "25 equivalences."
equivalences = # of atoms in the pre- and post-reacted molecule
templates edgeIDs = # of edge atoms in the pre-reacted molecule
template
templates edgeIDs = # of edge atoms in the pre-reacted molecule template :pre
The edgeIDs keyword is optional.
@ -228,21 +227,22 @@ pre-reacted molecule template.
A sample map file is given below:
---------------
this is a map file
:line
# This is a map file :pre
2 edgeIDs
7 equivalences
7 equivalences :pre
BondingIDs
BondingIDs :pre
3 5
3 5 :pre
EdgeIDs
EdgeIDs :pre
1 7
1 7 :pre
Equivalences
Equivalences :pre
1 1
2 2
@ -250,8 +250,9 @@ Equivalences
4 4
5 5
6 6
7 7
---------------
7 7 :pre
:line
Once a reaction site has been successfully identified, data structures
within LAMMPS that store bond topology are updated to reflect the

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@ -23,6 +23,7 @@ Fixes :h1
fix_bond_break
fix_bond_create
fix_bond_swap
fix_bond_react
fix_box_relax
fix_cmap
fix_colvars

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@ -150,6 +150,7 @@ fix_aveforce.html
fix_balance.html
fix_bond_break.html
fix_bond_create.html
fix_bond_react.html
fix_bond_swap.html
fix_box_relax.html
fix_cmap.html