cswartzvi/Hbonds
Calculate the number and type of Hydrogen Bonds, for a given water molcule, in a QE simulation
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Discovered Sep 26, 2026
cswartzvi / Wannier-Projections
Projection of Wannier Orbitals onto Koh-Sham Like Eigenstates
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cswartzvi/Gen-Projections
Wavefunctions projection of a single state onto a discrete spctrum of states (KS or Wannier)
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cswartzvi/QE-5.0_Post-Proc-Mod
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