oct-center-geom - Centers a molecule geometry
[oct-center-geom does not read the standard input: all standard input will be
simply ignored. An input file named inp
must be present in the running
directory. Also, oct-center-geom accepts no command line arguments, since
there is not a standard way to do this with Fortran 90.]
This program is one of the octopus
It reads the xyz file pointed to by the XYZCoordinates variable in the
file, and constructs one output xyz file, that will be called
file, that describes the same system but in which the
atomic coordiates are centered.
The man pages of octopus and of the auxiliary octopus sub-programs
(oct-something) are not intended to contain the documentation of the programs,
but only their basic description. For where to find more documentation, see
the "SEE ALSO" section below.
Written by M. A. L. Marques, A. Castro, A. Rubio, C. A. Rozzi, F. Lorenzen, H.
Appel and X. Andrade.
Report bugs through the <firstname.lastname@example.org> mailing list.
Copyright (C) 2006 M. A. L. Marques, A. Castro, A. Rubio, C. A. Rozzi, F.
Lorenzen, H. Appel and X. Andrade.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
The largest source of documentation is the octopus website:
At the usual standard locations, you will also find an info file,