-
Notifications
You must be signed in to change notification settings - Fork 33
/
Symmetry.h
43 lines (36 loc) · 1.37 KB
/
Symmetry.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
/*
Developed by Sandeep Sharma and Garnet K.-L. Chan, 2012
Copyright (c) 2012, Garnet K.-L. Chan
This program is integrated in Molpro with the permission of
Sandeep Sharma and Garnet K.-L. Chan
*/
#ifndef SPIN_SYMMETRY_HEADER
#define SPIN_SYMMETRY_HEADER
#include <fstream>
#include <cstdio>
#include <multiarray.h>
#include <boost/serialization/serialization.hpp>
#include <vector>
#include "IrrepVector.h"
#include <string.h>
using namespace boost;
/** Non-Abelian and Abelian Symmetry class */
namespace SpinAdapted {
class IrrepVector;
class Symmetry
{
public:
static void InitialiseTable(string sym);
static std::vector<int> add(int irrepl, int irrepr);
static int sizeofIrrep(int irrep);
static bool irrepAllowed(int irrep);
static string stringOfIrrep(int irrep);
static double spatial_cg(int a, int b, int c, int la, int lb, int lc) ;
static double spatial_sixj(int a, int b, int c, int d, int e, int f) ;
static double spatial_ninej(int j1, int j2, int j12, int j3, int j4, int j34, int j13, int j24, int j);
static std::vector<int> decompress(int irrep);
static int compress(std::vector<int>& irreps);
static int negativeof(int irrep);
};
}
#endif