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The
output from the (Yup.fpf) check option is largely
self-explanatory. Normally, Yup.fpf outputs a series of
unformatted files which are not readable. The check
option shows the layout and content of these files.
Items between brackets are not part of the output
files but are added to enhance
readability.
The
major differences between the text source and the
unformatted output files are these:
- Force
parameters are converted to internal units of
measure
- Atom
type names are converted (hashed) into numeric
codes
- The
names-data entries in Inclusion list terms are
split into two separate lists:
- The
index list consists of key-index pairs. The
key is created by converting the atom type
names into a hash code and the accompanying
index points to the data list. This list is
sorted on the hash code.
- The
data list consists of the force parameters in
internal units. The order of the data in the
text source is preserved in this
list.
- Each
list is preceeded by a count of the length of
the list
- Each
atom type name is preceeded by the length of the
name
- Some
lists are reordered in a manner similar to the
transposition of a matrix.
For
each output, the check option lists the name of the
output file, then the contents of the file. Data
lists are numbered to assist lookup. (The numbers
are shown within brackets as they are not part of
the actual output.) The hash code are shown as
hexadecimals as these have a close correspondence
to the original name lists.
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