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Axel Kohlmeyer
2020-01-31 10:52:31 -05:00
parent 82aab36898
commit 6424883daf
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doc/src/pair_modify.rst
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@ -59,12 +59,13 @@ Description
Modify the parameters of the currently defined pair style. If the
pair style is :doc:`hybrid or hybrid/overlay <pair_hybrid>`, then the
specified parameters are by default modified for all the hybrid sub-styles.
specified parameters are by default modified for all the hybrid sub-styles.
.. note::
The behavior for hybrid pair styles can be changed by using the *pair*
keyword, which allows to select a specific sub-style to apply a setting to.
keyword, which allows selection of a specific sub-style to apply all
remaining keywords to.
The *special* and *compute/tally* keywords can **only** be
used in conjunction with the *pair* keyword. See further details about
these 3 keywords below.
@ -276,7 +277,7 @@ and *coul* settings to different values.
command with weights like 1.0e-10 or 0.999999999 instead of 0.0 or 1.0,
respectively, which enables to reset each them to any value between 0.0
and 1.0 inclusively. Otherwise you can set **all** global weights to
an arbitrary number outside of 0.0 or 1.0, like 0.5, and then you have
an arbitrary number between 0.0 or 1.0, like 0.5, and then you have
to override **all** *special* settings for **all** sub-styles which use
the 1-2, 1-3, and 1-4 exclusion weights in their force/energy computation.