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Read atoms from a standard XYZ file into this Atoms object. Properties for
all the fields found in the file are created, and parameters in key=value
form are read from the comment line (line 2) into the params
dictionary within the Atoms object.
An overloaded routine skips over a single frame in the input stream.
- this -- type(Atoms), intent(inout)
-
- xyzfilename -- character(*), intent(in)
-
- comment -- character(len=*), optional, intent(out)
-
- status -- integer, optional, intent(out)
-
- properties -- character(len=*), optional, intent(out)
-
- mpi_comm -- integer, optional, intent(in)
-
- xyzfile -- type(Inoutput), intent(inout)
-
- xyzfile_es -- type(extendable_str), intent(inout)
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set_lattice interface
gabor
2009-06-30