Interface print_cfg

Print in AtomEye extended CFG format. Arguments are as for print_xyz above.

this -- type(Atoms), target, intent(in)

Atoms object to print

cfgfile -- type(Inoutput), intent(inout)

Inoutput object to write to

comment -- character(*), optional, intent(in)

Comment line (line #2 of xyz file)

properties -- character(*), optional, intent(in)

Colon separated list of columns from this%data to printed. If not specified, we print only the atom positions, unless all_properties is true.

all_properties -- logical, optional, intent(in)

Should we print all properties (default is false)

cfgfilename -- character(*), intent(in)

read_xyz interface