ERKALE
ERKALE - DFT from Hel
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momentum_series.h
1 /*
2  * This source code is part of
3  *
4  * E R K A L E
5  * -
6  * HF/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 
18 #ifndef ERKALE_MOMSER
19 #define ERKALE_MOMSER
20 
21 class BasisSet;
22 #include "../global.h"
23 #include <armadillo>
24 #include <vector>
25 
29  std::vector< std::vector< arma::mat > > stack;
30 
32  int lmax;
33 
35  const BasisSet * bas;
36  public:
41 
43  arma::cx_mat get(const arma::vec & q, double rmstol, double maxtol);
44 };
45 
46 
47 #endif
const BasisSet * bas
Pointer to basis set.
Definition: momentum_series.h:35
int lmax
Maximum l in stack.
Definition: momentum_series.h:32
std::vector< std::vector< arma::mat > > stack
Stack of moment matrices: stack[l][ind](i,j)
Definition: momentum_series.h:29
momentum_transfer_series(const BasisSet *bas)
Constructor.
Definition: momentum_series.cpp:22
Basis set.
Definition: basis.h:187
~momentum_transfer_series()
Destructor.
Definition: momentum_series.cpp:27
Class for computing momentum transfer matrices using a series expansion.
Definition: momentum_series.h:27