Commands

DEBROGLI: Calculate and print out the DeBroglie wavelength for the system defined by the current parameters

DIFCRS: Calculate a differential cross section using previously computed S matrices

DIFFER: Compares two previously computed S matrices

EADIAB: Determine locally adiabatic energies using previously calculated transformation matrices

FLUX: Determine quantum fluxes for photodissociation or collisions

INTCRS: Calculate integral cross sections using previously computed S matrices

MACHDAT: Display on the screen and in the main output file the important details of your current hardware

MINPOT: Estimate minimum in the isotropic part of potential

MRCRS: Determine m-state resolved integral cross sections using previously determined tensor cross sections

OPTIMIZE: Optimize system independent parameters

PARTC: Print out a subset of previously calculated partial cross sections

PRINTC: Print out a subset of previously calculated integral cross sections

PRINTS: Print out previously calculated S matrices

PSI: Determine the expansion coefficients of selected channel components of the scattering wavefunction

READ: Read in parameters and flags from the currently defined input file

OPTIMIZE: Optimize one (or more) parameters

RUN: Start a scattering calculation using the current parameters and flags

QUIT: Terminate the currently running scattering program

SAVE: Save the current parameters and flags

SHOW: Display on the screen and in the main output file the current parameters and flags

TENXSC: Calculate tensor cross sections using previously computed S matrices

TESTPOT: Print out value of the potential and/or the expansion coefficients of the potential at a given value of R

TURN: Estimate classical turning point from isotropic part of potential