The CRP routine can be called via a python wrappen by using f2py as follows:

First run `f2py -h libcrp.pyf -m libcrp CRP_Python_Wrapper.f90`

Some things needs to be corrected in libcrp.pyf by hand:

The following needs to be commented with an exclamation mark (!):
!type(crp_moleculesurface_pes), save :: pes
!type(units), save :: friendlyunits

All 'real' needs to be changed to 'real*8'

Then run `f2py -c libcrp.pyf CRP_Constants.f90 CRP_ErrorTrap.f90 CRP_UnitConversion.f90 CRP_Spline.f90 CRP_General.f90  CRP_GasPhase.f90 CRP_*Surface.f90  CRP_PotentialData.f90  CRP_Wrapper.f90 CRP_Python_Wrapper.f90 --f90flags='-fdefault-real-8' --f77flags='-fdefault-real-8'`

Make sure that the resulting library is called 'libcrp.so' (it is expected by the ASE CRPCalculator)

You might want to use f2py3 instead f2py (it enforces python3 instead of python2).

Then 'example.py' shows how energies and forces can be obtained. The CRPCalculator.py includes an ASE calculator class for the CRP python library so one can simply use ASE to perform calculations.
