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Main input switches
With the ADF output TAPE21 present in the current working
directory, the CPL code is invoked by:
$ADFBIN/cpl < input_file
where input_file contains the input for CPL.
We have tried to ensure some backward compatibility
with older ADF versions, such as ADF 1999 and ADF 2.3. Normally, you will use
the ADF suite that contains the CPL code of the same version. CPL tries to
detect if the TAPE21 belongs to an older version of ADF and exits with an error
message in case it is not able to process this file. For ADF 2.3, you have to supply also the TAPE10 of ADF 2.3 in
addition to TAPE21 (specify SAVEFILE TAPE10 in the ADF input file). We provide
this option for testing purposes, however this functionality is not supported
and we do not recommend to run CPL on top of the output of an older ADF
version.
input_file must contain at least one block-type input
key in order to start the CPL run. The input key is
NMRCOUPLING
END
This represents a minimal input file for CPL. The NMRCOUPLING
key hosts all optional keys that are relevant for the NSSCCs themselves. In
addition to the mandatory NMRCOUPLING key, CPL recognizes the following input
switches:
RESTART restart_file
restart the computation from
file restart_file. This is the TAPE13 produced during a CPL run. By default,
TAPE13 is deleted after a successful completion of CPL. As with ADF restarts, you
can not use the name TAPE13 for restart_file but you have to rename it, e.g.
to tape13.restart.)
SAVEFILE TAPE13
keep the restart file even after
a successful completion of CPL. TAPE13 is currently the only file that is
meaningful as a parameter to SAVEFILE
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