The RDFDAT File

This is a formatted file containing em Radial Distribution Function (RDF) data. Its contents are as follows:

record 1

cfgname 		 character (A80)		 configuration name

record 2

ntpvdw 		 integer (i10) 		 number of RDFs in file

mxrdf 		 integer (i10) 		 number of data points in each RDF

There follow the data for each individual RDF i.e. ntpvdw times. The data supplied are as follows:

first record

atname 1 		 character (A8)		 first atom name

atname 2 		 character (A8)		 second atom name

following records (mxrdf records)

radius 		 real (e14) 		 interatomic distance (A)

g(r) 		 real (e14) 		 RDF at given radius.

Note the RDFDAT file is optional and appears when the print rdf option is specified in the CONTROL file.