cswartzvi/Hbonds
Calculate the number and type of Hydrogen Bonds, for a given water molcule, in a QE simulation
Developer Profile
cswartzvi
Discovered public repositories for cswartzvi in the GitHub catalog.
cswartzvi/Gen-Projections
Wavefunctions projection of a single state onto a discrete spctrum of states (KS or Wannier)
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
cswartzvi/XCrySDen-Scripts
Scritps for the XCrysDen 3D visualization package
cswartzvi/DOS-lDOS-Scripts
Scripts for various analysis of the Density of States and Local Density of States files
cswartzvi/OH-Analysis
Programs for the Analysis of the OH- Defect system
cswartzvi/H3O-Analysis
Programs for the Analysis of the H3O+ Defect system
cswartzvi/Multi_Submit
Script for submiting Multiple MD and GS Claculations (System Dependent)
cswartzvi/MD-Analysis
Analysis of Molecular Dynamics Simulations (General Simulations)