PEAKIN: Insert Peak Sites into a Bdf
Author: Jim Stewart, Department of Chemistry,
University of Maryland, College Park, MD 20742, USA
PEAKIN inserts peak sites into a bdf in the same format as PEKPIK. This
permits the by-passing of the Fourier map and PEKPIK calculations.
Reads symmetry and atom list from the input archive bdf
Writes a bdf containing peak sites to the file pek
PEAKIN
peak .5484 .6379 .1533 8.0
peak .3977 .5132 .2303 8.0
peak .2541 .5710 .6016 8.0
peak .4152 .6943 .4956 8.0
peak .3185 .6696 .6318 8.0
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