list_terms = []
list_terms1 = []
#list_terms.extend(comm(['V2'],['T1'],1.0))
#list_terms.extend(prod(['X2'],comm(['V2'],['T1'],0),1.0))
#list_terms.extend(prod(['X2'],comm(comm(['V2'],['T1'],0),['T11'],0),0.5))
#list_terms.extend(prod(['X2'],comm(comm(['V2'],['T1'],0),['D11'],0),-0.5))
#list_terms.extend(prod(['X2'],comm(comm(['V2'],['D1'],0),['T11'],0),-0.5))
#list_terms.extend(prod(['X2'],comm(comm(['V2'],['D1'],0),['D11'],0),0.5))
#driver(1.0/6.0,['X1','V2','T1','T12','T13'])
list_terms = prod(['X1'],
comm(comm(comm(['V2'], ['T1'], 0), ['T11'], 0), ['T12'], 0),
1.0 / 6.0)
list_terms = full_con.full_terms(list_terms)
print_terms.print_terms(list_terms, 'latex_output.txt')
#testing to pick suitable operators and then projectingto X
'''
list_terms=comm(comm(comm(['V2'],['T1'],0),['T11'],0),['T12'],1.0/6.0)
print_terms.print_terms(list_terms,'latex_output.txt')
list_terms1=pick.pick_test(list_terms,['a','b'],['i','j'])
print_terms.print_terms(list_terms1,'latex_output.txt')
list_terms=prod(['X1'],list_terms1,1.0)
list_terms=full_con.full_terms(list_terms)
print_terms.print_terms(list_terms,'latex_output.txt')
'''
def driver(fc, list_char_op):
#def driver(fc):
#build operators
#list_char_op=['D2','V2','Y2']
dict_ind = {}
lou, dict_ind = lib.make_op.make_op(list_char_op, dict_ind)
#Do contractions
a = lou[0].st
b = lou[0].co
#lib.print_op.print_op(lou[0].st,lou[0].co)
for i in range(1, len(lou)):
a, b = multi_cont.multi_cont(a, lou[i].st, b, lou[i].co)
#lib.print_op.print_op(lou[i].st,lou[i].co)
#lib.print_op.print_op(a,b)
#print '------'
#a,b=multi_cont.multi_cont(a,lou[2].st, b, lou[2].co)
#a,b=multi_cont.multi_cont(a,lou[3].st, b, lou[3].co)
#fully contracted only
a, b = lib.full_con.full_con(a, b)
#lib.print_op.print_op(a,b)
#Changing t,c to object terms.(bug 19Feb2020 comes into already int,c)
list_terms = ct.change_terms1(a, b, fc, dict_ind, lou)
#compress terms eliminating deltas
for term in list_terms:
term.compress()
#print dict_ind
#condition for atleast 1 contraction with H
term.cond_cont(dict_ind)
term.build_map_org()
term.print_term()
print 'list terms full con length', len(list_terms)
#---
#for term in list_terms:
#term.print_term()
print '-------final below----'
'''
#integral symmetry
for i in range(len(list_terms)):
for j in range(i+1, len(list_terms)):
if list_terms[i].fac!=0 and list_terms[j].fac!=0:
flo= list_terms[i].compare(list_terms[j])
if flo!=0:
#print i,j,flo
list_terms[i].fac=list_terms[i].fac+list_terms[j].fac * flo
list_terms[j].fac=0.0
#for item in list_terms:
#if item.fac!=0:
#print 'yay'
#dummy_check
for i in range(len(list_terms)):
for j in range(i+1,len(list_terms)):
if list_terms[i].fac!=0 and list_terms[j].fac!=0:
#print list_terms[i].fac, list_terms[j].fac
list_terms[i].dummy_check(list_terms[j])
'''
#compare terms based on 5 levels of check all in cpre.compare()
for i in range(len(list_terms)):
for j in range(i + 1, len(list_terms)):
if list_terms[i].fac != 0 and list_terms[j].fac != 0:
#print "comparing inside drive -------:", i,j,list_terms[i].coeff_list, list_terms[j].coeff_list
flo = cpre.compare(list_terms[i], list_terms[j])
if flo != 0:
#print 'in result in the comparision',i,j,flo
#print 'this should be 0 always = ',list_terms[i].fac+list_terms[j].fac*flo
list_terms[
i].fac = list_terms[i].fac + list_terms[j].fac * flo
list_terms[j].fac = 0.0
#print 'out result in the comparision',i,j,list_terms[i].coeff_list,list_terms[j].coeff_list,flo
#muliply with the prefactor of the expression from the Housdoff Expression(No need to do this now)
#for item in list_terms:
# if item.fac!=0.0:
# item.fac=item.fac*fc
#print list_terms[i].fac, list_terms[j].fac
#for term in list_terms:
#if term.fac!=0:
#print term.fac, term.sum_list, term.coeff_list
#print terms properly
pt.print_terms(list_terms, 'latex_output.txt')
from tests import ccsd_amplitude as ccsd from main_tools.commutator import comm from library import print_terms from library import full_con #the input of the commutator function is as follows : #if you want a commutator [V,T2]-> comm['op1'],['op2'],prefactor) #NOTE : prefactor should be 0 in case this is not the last of the nested prefactor (clearer in the next eexample) print 'case of [V,T2]' list_terms = comm(['V2'], ['T2'], 1) #The following function selects only the fully contracted terms from the above list_terms list_terms = full_con.full_terms(list_terms) print_terms.print_terms(list_terms) #Case of a nested commutator : #Note that the name of the operators of the same type are different #Like T1,T11,T12,T13 etc print 'case of [[V,T1],T1]' list_terms = comm(comm(['V2'], ['T1'], 0), ['T11'], 1.0) list_terms = full_con.full_terms(list_terms) print_terms.print_terms(list_terms) #Case of Deexcitation operators #Deexcitation operators can be defined by the letter D,everything else remain the same #Notice that we are not using the full_con function here, so it will print all terms, not just fully contracted. print 'case of [[V,D1],T1]' list_terms = comm(comm(['V2'], ['D1'], 0), ['T1'], 1.0) print_terms.print_terms(list_terms) #The code has other small things it can do but these are the basics.