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import updates to the manual from the progguide branch

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Axel Kohlmeyer
2020-06-14 11:25:02 -04:00
parent 21e34c5c76
commit 083fe85b68
149 changed files with 599 additions and 523 deletions
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6
doc/src/compute_rdf.rst
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@ -97,7 +97,7 @@ listed, then a separate histogram is generated for each
*itype*\ ,\ *jtype* pair.
The *itypeN* and *jtypeN* settings can be specified in one of two
ways. An explicit numeric value can be used, as in the 4th example
ways. An explicit numeric value can be used, as in the fourth example
above. Or a wild-card asterisk can be used to specify a range of atom
types. This takes the form "\*" or "\*n" or "n\*" or "m\*n". If N = the
number of atom types, then an asterisk with no numeric values means
@ -106,11 +106,11 @@ all types from 1 to N. A leading asterisk means all types from 1 to n
(inclusive). A middle asterisk means all types from m to n
(inclusive).
If both *itypeN* and *jtypeN* are single values, as in the 4th example
If both *itypeN* and *jtypeN* are single values, as in the fourth example
above, this means that a g(r) is computed where atoms of type *itypeN*
are the central atom, and atoms of type *jtypeN* are the distribution
atom. If either *itypeN* and *jtypeN* represent a range of values via
the wild-card asterisk, as in the 5th example above, this means that a
the wild-card asterisk, as in the fifth example above, this means that a
g(r) is computed where atoms of any of the range of types represented
by *itypeN* are the central atom, and atoms of any of the range of
types represented by *jtypeN* are the distribution atom.