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 27, 2026
cswartzvi / Gen-Projections
Wavefunctions projection of a single state onto a discrete spctrum of states (KS or Wannier)
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This repository is cataloged as part of our automated global GitHub synchronization. Full telemetry, velocity snapshots, and code summaries are scheduled for continuous enrichment.
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More from cswartzvi
cswartzvi/XES-Script
Public repository.
cswartzvi/Wannier-Projections
Projection of Wannier Orbitals onto Koh-Sham Like Eigenstates
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