Command FileName

Command format

FileName File-Type File-Name Position

The parameter File-Type specifies which output file, with name File-Name, is being defined. The input parameter Position is optional and if peresent it specifies the value of the POSITION parameter in the FORTRAN OPEN statement. Two possible values are REWIND and APPEND. The default value is REWIND.

Possible values for File-Type

AWaveFun
this is the file where adiabatic resonance wave functions are put in .dat file format
DebugOut
this is used as the stem of a file for debugging output where each processor writes the output to a different file.
DumpOrbBasis
this is the file where data from DumpOrb and DumpBasis is written
DumpOut
this is the file where data from DumpIdy is written
MatrixElements
this specifies where variational matrix elements are put. For electron scattering this is where the T-matrix elements are stored. For photoionizaiton this is where the idynamical coefficients are stored.
MFDCSGeom
this is the file where geometry information is written for single orientation calculations of the MFDCS
MFDCS
the file is where the 2-dimensional differential cross sections are written in .dat format
MFDCSFull
the file where the full list differential cross sections are written using a RThType = 3 type run of MFDCS
OrientAsymData
this is the file where molecular frame data after rotation from RotOrientAsym is written
OrientAsymEig
this is the file where eigenvalues of the rotational Hamiltonian RotOrientAsym are written
OrientAsymGeom
this is the file where geometry information compatible with the data from RotOrientAsym is written
OrientData
this is the file where molecular frame data from OrientCro is written
OrientGeom
this is the file where geometry information compatible with the data from OrientCro is written
PlotData
this is the file where data of one variable suitable for plotting are written in .dat file format
PlotData2D
this is the file where data of two variables suitable for plotting are written in .dat file format
SWaveFun
this is the file where spherical resonance wave functions are put in .dat file format
VibAveIdy
this is the file where the vibrationally averaged dipole matrix elements that are computed in VibAveN are written. The output format is the same as used in DumpIdy.
ViewOrb
this is the file where orbitals expanded using ViewOrb are written in .dat file format
ViewOrbFlux
this is the file where the flux and its divergence for the orbitals expanded using ViewOrb are written in .dat file format
ViewOrbGeom
this is the file where geometry information needed to intrepret the output from ViewOrb is written

Examples of use