Tonto | ||
---|---|---|
<< Previous | Next >> |
MORPHY is a program for producing properties from the electron densities of wavefunctions expanded in gaussian basis sets, using Bader and coworkers Atoms in Molecules (AIM) technique.
This job shows a conversion of a Gaussian checkpoint file into a MORPHY .wfn input file.
{ read_g94_checkpoint_file Test.FChk put put_morphy_wfn_file } |
<< Previous | Home | Next >> |
Input from a gaussian checkpoint file | Up | A constrained X-ray wavefunction calculation |