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JDFTx
1.7.0
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JDFTx
1.7.0
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#include <core/RadialFunction.h>#include <core/matrix.h>#include <core/Minimize.h>#include <cstring>#include <map>Classes | |
| class | RadialSchrodinger |
| Radial schrodinger equation solver (non-interacting eigen-problem for an atom) More... | |
| struct | RadialSchrodinger::Outputs |
| Optional outputs from compute: retrieve all non-null quantities. More... | |
| class | InvertKS |
| Invert Kohn-Sham equations to get effective potential for a given electron density. More... | |
Radial Schrodinger equation solution and Kohn-Sham inversion