AdsorptionCalc
ChainedCalc
EOSCalc
ElasticityCalc
EnergeticsCalc
GBCalc
InterfaceCalc
LAMMPSMDCalc
MDCalc
MEP
NEBCalc
PESCalculator
Phonon3Calc
PhononCalc
PropCalc
QHACalc
RelaxCalc
SurfaceCalc
UNIVERSAL_CALCULATORS
clear_cache()
load_fp()
load_up()
calculate_property()
main()
Command line interface to matcalc.
Run the selected PropCalc on input structure files (from parsed CLI args).
Clear the MatCalc benchmark cache (from parsed CLI args).
Handle main.