example_cg

#!/usr/bin/python

import os
import numpy as np
import itertools as it

import group

def main():
    prefs = [[0.,0.,0.], [0.,0.,1.], [1.,1.,0.], [1.,1.,1.], [0.,0.,2.],[0.,1.,2.],[1.,1.,2.]]
    #prefs = np.asarray(prefs)
    p2max = len(prefs)
    groups = []

    # initialize groups
    S = 1./np.sqrt(2.)
    #U3 = np.asarray([[S,0,S],[0,1,0],[S,0,-S]])
    U3 = np.asarray([[0,0,-1.],[1.j,0,0],[0,1,0]])
    U2 = np.asarray([[S,S],[1.j*S,-1.j*S]])

    path = os.path.normpath(os.path.join(os.getcwd(), "groups/"))
    groups = group.init_groups(prefs=prefs, p2max=p2max, U2=U2, U3=U3,
            path=path)

    # calc coefficients
    print(" CMF ".center(40, "="))
    irnames = groups[0].irrepsname
    for p in range(p2max):
        print(" %d x %d -> 0 ".center(40, "+") % (p, p))
        try:
            cgs = group.TOhCG(0, p, p, groups)
            #cgs = group.TOhCG(0, p, p, groups, ir1="A2g", ir2="T2g")
            #print("display")
            #cgs.display()
            print("operators")
            cgs.print_operators()
            #print("latex")
            #cgs.to_latex()
            #print("pandas")
            #cgs.to_pandas()
        except RuntimeError:
            continue

    print(" MF1 ".center(40, "="))
    irnames = groups[1].irrepsname
    for i, j in it.product(range(p2max), repeat=2):
        if i == 0 or j == 0:
            empty = 3
        else:
            empty = 4
        try:
            cgs = group.TOhCG(1, i, j, groups)
            if cgs is None:
                continue
            print(" %d x %d -> 1 ".center(40, "+") % (i, j))
            #print("display")
            #cgs.display(emptyline=empty)
            print("operators")
            cgs.print_operators()
            #print("latex")
            #cgs.to_latex()
            #print("pandas")
            #cgs.to_pandas()
        except RuntimeError:
            continue

    print(" MF2 ".center(40, "="))
    irnames = groups[2].irrepsname
    for i, j in it.product(range(p2max), repeat=2):
        try:
            cgs = group.TOhCG(2, i, j, groups)
            if cgs is None:
                continue
            print(" %d x %d -> 2 ".center(40, "+") % (i, j))
            #print("display")
            #cgs.display(emptyline=empty)
            print("operators")
            cgs.print_operators()
            #print("latex")
            #cgs.to_latex()
            #print("pandas")
            #cgs.to_pandas()
        except RuntimeError:
            continue

    print(" MF3 ".center(40, "="))
    irnames = groups[3].irrepsname
    for i, j in it.product(range(p2max), repeat=2):
        try:
            cgs = group.TOhCG(3, i, j, groups)
            if cgs is None:
                continue
            print(" %d x %d -> 3 ".center(40, "+") % (i, j))
            #print("display")
            #cgs.display(emptyline=empty)
            print("operators")
            cgs.print_operators()
            #print("latex")
            #cgs.to_latex()
            #print("pandas")
            #cgs.to_pandas()
        except RuntimeError:
            continue

if __name__ == "__main__":
    try:
        main()
    except KeyboardInterrupt:
        pass