ergo
hermite_conversion_symb.h
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1 /* Ergo, version 3.4, a program for linear scaling electronic structure
2  * calculations.
3  * Copyright (C) 2014 Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek.
4  *
5  * This program is free software: you can redistribute it and/or modify
6  * it under the terms of the GNU General Public License as published by
7  * the Free Software Foundation, either version 3 of the License, or
8  * (at your option) any later version.
9  *
10  * This program is distributed in the hope that it will be useful,
11  * but WITHOUT ANY WARRANTY; without even the implied warranty of
12  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13  * GNU General Public License for more details.
14  *
15  * You should have received a copy of the GNU General Public License
16  * along with this program. If not, see <http://www.gnu.org/licenses/>.
17  *
18  * Primary academic reference:
19  * Kohn−Sham Density Functional Theory Electronic Structure Calculations
20  * with Linearly Scaling Computational Time and Memory Usage,
21  * Elias Rudberg, Emanuel H. Rubensson, and Pawel Salek,
22  * J. Chem. Theory Comput. 7, 340 (2011),
23  * <http://dx.doi.org/10.1021/ct100611z>
24  *
25  * For further information about Ergo, see <http://www.ergoscf.org>.
26  */
27 
28 #ifndef HERMITE_CONVERSION_SYMB_HEADER
29 #define HERMITE_CONVERSION_SYMB_HEADER
30 
31 #include "integral_info.h"
32 #include "realtype.h"
33 
34 typedef struct
35 {
36  int ia; // power of a
39 
41  int nmax,
42  int inverseFlag,
43  symb_matrix_element* result);
44 
45 
46 #endif
Definition: monomial_info.h:46
double ergo_real
Definition: realtype.h:53
Definition: hermite_conversion_symb.h:34
int get_hermite_conversion_matrix_symb(const monomial_info_struct *monomial_info, int nmax, int inverseFlag, symb_matrix_element *result)
Definition: hermite_conversion_symb.cc:206
int ia
Definition: hermite_conversion_symb.h:36
ergo_real coeff
Definition: hermite_conversion_symb.h:37