Modules

brief Descpription of modules system: available modules and options

• The modules system allows the easy calculation of any atomic properties after the wavefunction has been calculated.
• Any number of modules can be run by adding ‘ModulebriefmoduleName{}’ blocks.
• The code is designed so that you can easily create your own modules. See doc/writing_modules.md for details

Get a list of available modules: ./ampsci -m

They are (at time of writing):

Available modules:

• Tests
  • Some basic wavefunction numerical tests
• testBasis
  • Tests of basis and spectrum
• WriteOrbitals
  • Write orbitals to disk for plotting
• matrixElements
  • Calculates matrix elements of any operator
• CI_matrixElements
  • Calculates matrix elements of any operator for CI wavefunctions
• lifetimes
  • Calculate radiative lifetimes (E1, E2, M1)
• polarisability
  • Calculates static polarisabilities
• dynamicPolarisability
  • Calculates dynamic polarisabilities
• transitionPolarisability
  • Calculates transition polarisabilities
• structureRad
  • Calculates Struct. Rad + Normalisation corrections to MEs
• fieldShift
  • Calculates field-shift constants (isotope shift)
• QED
  • QED corrections to energies/matrix elements
• Breit
  • Breit corrections to energies
• ladder
  • Calculates ladder diagrams and energy corrections
• Kionisation
  • Calculate atomic ionisation form-factors
• continuum
  • Compute and use continuum wavefunctions
• HFAnomaly
  • Calculates Bohr-Weisskopf effect and hyperfine anomaly
• screeningFactors
  • Calculates Feynman electron screening factors
• pnc
  • Calculates APV amplitudes
• exampleModule
  • A short description of the module

You can see all the available options by setting the 'help' option, e.g.,

• ModulebriefmoduleName{ help; }

You can also get most of this information directly from the command-line:

• ./ampsci -m <ModuleName>
  • Prints list of available Modules (same as –modules)
  • ModuleName is optional. If given, will list available options for that Module