Copyright © 1998–2012 by A. Miyoshi,
SSUMES reference manual - rdmas/frmmas
SSUMES reference manual
rdmas < MASTER_filename > output_filename
frmmas < CSV_filename > output_filename
The programs rdmas (read master-file)
reads in the MASTER input file generated by rrkmth and prints out
the density of states, ρ(E), and microscopic rate
coefficients, k(E), in readable form to console, as well as
to the CSV-format file named
rdmas.csv. The CSV-files
can be used to manipulate ρ(E) and k(E),
for example, preparing the sum of the density of states for isomers to
treat them as one moleucule, summing-up k(E)'s for two
channels which produce equivalent products, preparing microcanonical
VTST k(E) from multiple k(E)'s calculated
along the reaction coordinate, etc.
The resultant list of ρ(E)'s or
k(E)'s in a CSV-format file can be back-converted to the
MASTER input file format by the program frmmas
(format in master-file).
Input and output
Detail of the MASTER input file is described in the manual for
mas55c3. The outputs of rdmas are conprehensive and
no explanation will be needed.
The program frmmas
converts list of of values in the MASTER
file format. It does not create a complete MASTER input file.
It accepts the one-column CSV-format file in the format shown
is the number of values. In order to
prepare a complete MASTER input file, the output of frmmas
be paseted into a MASTER file manually.