-
Notifications
You must be signed in to change notification settings - Fork 0
/
Jastrow.h
76 lines (52 loc) · 1.46 KB
/
Jastrow.h
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
/*
* File: Jastrow.h
* Author: jorgehog
*
* Created on 30. mars 2012, 16:52
*/
#ifndef JASTROW_H
#define JASTROW_H
class Jastrow {
protected:
int n_p;
int n2;
int dim;
public:
Jastrow(int n_p, int dim);
Jastrow();
virtual void initialize() = 0;
virtual double get_val(const Walker* walker) const = 0;
virtual double get_j_ratio(const Walker* walker_new, const Walker* walker_old, int i) const = 0;
virtual void get_grad(Walker* walker) const = 0;
virtual double get_lapl_sum(const Walker* walker) const = 0;
};
class No_Jastrow : public Jastrow {
public:
No_Jastrow();
virtual void get_grad(Walker* walker) const{
};
virtual void initialize() {
};
virtual double get_j_ratio(const Walker* walker_post, const Walker* walker_pre, int i) const {
return 1;
};
virtual double get_val(const Walker* walker) const {
return 1;
};
virtual double get_lapl_sum(const Walker* walker) const {
return 0;
};
};
class Pade_Jastrow : public Jastrow {
protected:
double beta;
arma::mat a;
public:
Pade_Jastrow(int n_p, int dim, double beta);
virtual void initialize();
virtual void get_grad(Walker* walker) const;
virtual double get_j_ratio(const Walker* walker_new, const Walker* walker_old, int i) const;
virtual double get_val(const Walker* walker) const;
virtual double get_lapl_sum(const Walker* walker) const;
};
#endif /* JASTROW_H */