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correct formatting for examples when discussing the non-incremental nature of special_bonds

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Axel Kohlmeyer
2018-11-22 06:25:39 -05:00
parent 900ecc170a
commit 5efd8c06b1
1 changed files with 11 additions and 5 deletions
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16
doc/src/special_bonds.txt
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@ -196,19 +196,25 @@ the options you need each time. This command cannot be used a 2nd
time incrementally. E.g. these two commands:
special_bonds lj 0.0 1.0 1.0
special_bonds coul 0.0 0.0 1.0
special_bonds coul 0.0 0.0 1.0 :pre
are not the same as
special_bonds lj 0.0 1.0 1.0 coul 0.0 0.0 1.0
special_bonds lj 0.0 1.0 1.0 coul 0.0 0.0 1.0 :pre
In the first case you end up with (after the 2nd command):
LJ: 0.0 0.0 0.0
Coul: coul 0.0 0.0 1.0
Coul: 0.0 0.0 1.0 :pre
because the LJ settings are reset to their default values
each time the command is issued.
while only in the second case, you get the desired settings of:
LJ: 0.0 1.0 1.0
Coul: 0.0 0.0 1.0 :pre
This happens because the LJ (and Coul) settings are reset to
their default values before modifying them, each time the
{special_bonds} command is issued.
[Restrictions:] none