ERKALE
ERKALE - DFT from Hel
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diis_unpol_entry_t Struct Reference
Spin-unpolarized entry.
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#include <
diis.h
>
Public Attributes
arma::mat
P
Density matrix.
arma::mat
F
Fock matrix.
double
E
Energy.
arma::vec
err
DIIS
error matrix.
Detailed Description
Spin-unpolarized entry.
The documentation for this struct was generated from the following file:
src/
diis.h
Generated on Sat Nov 26 2016 21:21:52 for ERKALE by
1.8.5