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 ‘Module::moduleName{}’ 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
VQE
- For testing/playing with VQE method
exampleModule
- A short description of the module

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

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 avaiable options for that Module