Commit 5efd8c06 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

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

parent 900ecc17
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+11 −5
Original line number Diff line number Diff line
@@ -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