The user documentation for Hibridon
A number of commands are available to direct the operation of the Hibridon code:
DEBROGLI
: Calculate and print out the DeBroglie wavelength for the system defined by the current parametersDIFCRS
: Calculate a differential cross section using previously computed S matricesDIFFER
: Compares two previously computed S matricesEADIAB
: Determine locally adiabatic energies using previously calculated transformation matricesFLUX
: Determine quantum fluxes for photodissociation or collisionsINTCRS
: Calculate integral cross sections using previously computed S matricesMACHDAT
: Display on the screen and in the main output file the important details of your current hardwareMINPOT
: Estimate minimum in the isotropic part of potentialMRCRS
: Determine m-state resolved integral cross sections using previously determined tensor cross sectionsOPTIMIZE
: Optimize system independent parametersPARTC
: Print out a subset of previously calculated partial cross sectionsPRINTC
: Print out a subset of previously calculated integral cross sectionsPRINTS
: Print out previously calculated S matricesPRSBR
: Calculate pressure-broadening cross sectionsPSI
: Determine the expansion coefficients of selected channel components of the scattering wavefunctionREAD
: Read in parameters and flags from the currently defined input fileOPTIMIZE
: Optimize one (or more) parametersRUN
: Start a scattering calculation using the current parameters and flagsQUIT
: Terminate the currently running scattering programSAVE
: Save the current parameters and flagsSHOW
: Display on the screen and in the main output file the current parameters and flagsTENXSC
: Calculate tensor cross sections using previously computed S matricesTESTPOT
: Print out value of the potential and/or the expansion coefficients of the potential at a given value of RTURN
: Estimate classical turning point from isotropic part of potential