ERKALE
ERKALE - DFT from Hel
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trrh.h
1 /*
2  * This source code is part of
3  *
4  * E R K A L E
5  * -
6  * DFT from Hel
7  *
8  * Written by Susi Lehtola, 2010-2011
9  * Copyright (c) 2010-2011, Susi Lehtola
10  *
11  * This program is free software; you can redistribute it and/or
12  * modify it under the terms of the GNU General Public License
13  * as published by the Free Software Foundation; either version 2
14  * of the License, or (at your option) any later version.
15  */
16 
17 #ifndef ERKALE_TRRH
18 #define ERKALE_TRRH
19 
20 #include "global.h"
21 #include <armadillo>
22 
33 void TRRH_update(const arma::mat & F_AO, const arma::mat & C, const arma::mat & S, arma::mat & Cnew, arma::vec & Enew, size_t nocc, double minshift=0.1, bool verbose=true);
35 void TRRH_update(const arma::cx_mat & F_AO, const arma::cx_mat & C, const arma::mat & S, arma::cx_mat & Cnew, arma::vec & Enew, size_t nocc, double minshift=0.1, bool verbose=true);
36 
37 #endif