adding basis sets to molpro library

[Matt Hodges]

>>>>> Suzanne Jamesina Belshaw writes:

 > I tried to add the new set to the libmol.index file following the
 > format APART FROM THE NUMBERS AT THE END OF THE LINES (I'm not sure
 > what these mean). Now when I run the calculation it pauses
 > indefinitely (with no error message) at the point where it searches
 > for the basis set. I have tried the "make" command with various
 > files - they all say 'nothing to be done.' WHAT IS THE CRITICAL
 > STEP I AM MISSING?

I don't think you should try updating libmol.index by hand. Try
removing it and running make -C lib/ to regenerate it.

-- 
Dr. Matt Hodges
School of Chemical Sciences
University of Birmingham