cswartzvi/Hbonds
Calculate the number and type of Hydrogen Bonds, for a given water molcule, in a QE simulation
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Calculate the number and type of Hydrogen Bonds, for a given water molcule, in a QE simulation
Wavefunctions projection of a single state onto a discrete spctrum of states (KS or Wannier)
Projection of Wannier Orbitals onto Koh-Sham Like Eigenstates
CPPP has been made to run in parallel in order to print multiple states. Also the KS Print Feature in CP has been alter to print multiple outs at once