lbl2xs computation of line-by-line molecular absorption cross sections usage: lbl2xs [options] line_parameter_file(s) -h help -c char comment character(s) used in input,output file (default '#') -o string output file for saving of cross sections (if not given: write to StdOut) (in case of a list of input files / molecules, use a star as wildcard: this will be replaced by the molecule name) -p float(s) pressure(s) (in mb, default: p_ref of linefile, usually 1013.25mb=1atm) -T float(s) Temperature(s) (in K, default: T_ref of linefile, usually 296K) --pT file with list of pressures in mb (first column) and temperatures in K (second column) --cpT 2ints a pair of (non-negative) integers indicating the pressure and temperature columns in the pT file (default 0,1 for the very first and second column) -n int number of grids --- selects 'multigrid mode' for nGrids=2 or 3 (default) (nGrids=1 brute force) -g int gridRatio = ratio of coarse to fine grid spacing (only 2, 4, or 8, default 8) -W float transition from fine to coarse grid (in units of half widths, default 25.0) -a float air broadening half width, only used when not given in line list file -f string format for output file: 'a'='t'='xy' tabular ascii OR 'h' hitran OR "."="p" pickled (default) -i string interpolation method [default: '3' three-point Lagrange, choices are one of "234lqcs"] (only required for multigrid approach or when cross sections for several p,T pairs are saved in xy format) -L char Lineshape: V(oigt), L(orentz), G(auss) [default: Voigt] -s float sampling rate used for x-grid (default: 5.0 grid points per (mean) half width) -w float wing extension (cutoff wavenumber, default 10.0cm-1) -x Interval lower,upper wavenumbers (comma separated pair of floats [no blanks!], default set according to range of lines in datafile) If several line parameter files are given (usually for several molecules) AND if an output file (extension) has been specified (-o option) a cross section file will be generated for each line file: * if all line files have the same extension, the cross section files will have the old basename with the extension as specified by the -o option * otherwise the input file name will be augmented by the string specified as -o option For more information use lbl2xs --help End of lbl2xs help