Partial model

The partial model is introduced in file code.CDR after the CONTROL namelist according to the following format:


1/  line: MODEL

2/  line: Number of lines with atom coordinates

3/ line and following ones: Atomic coordinates (one line per atom).


The required information for each atom is atomic type, x/a, y/b, z/c, multiplicity (free format).


If necessary, additional information can be written after the multiplicity. The program will ignore this information. A minus sign before the atomic type causes this particular atom to be not considered.






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