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SSUMES reference manual - rdmas/frmmas
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SSUMES reference manual - rdmas/frmmas

Synopsis

rdmas < MASTER_filename > output_filename
frmmas < CSV_filename > output_filename

Description

  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 molecule, 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 below;
n
value-1
value-2
 :
value-n
where n is the number of values.   In order to prepare a complete MASTER input file, the output of frmmas must be pasted into a MASTER file manually.