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Fix - remove extra spaces
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ngraymon committed Jun 29, 2022
1 parent 4cec04b commit f8cdc1d
Showing 1 changed file with 18 additions and 18 deletions.
36 changes: 18 additions & 18 deletions termfactory/code_eT_zhz.py
Original file line number Diff line number Diff line change
Expand Up @@ -82,15 +82,15 @@ def _eT_zhz_einsum_electronic_components(t_list, z_right, b_loop_flag=False):
else: # pragma: vectorize_b_loop

# for each t term add 1 electronic label
electronic_components += ['a', ] * len(t_list)
electronic_components += ['a', ] * len(t_list)

# the H term always has 2
electronic_components.append('ac')
electronic_components.append('ac')

# we assume Z always contributes
electronic_components.append('c')
electronic_components.append('c')

return electronic_components
return electronic_components


def _eT_zhz_einsum_electronic_components_lhs(t_list, dT, z_right, b_loop_flag=False):
Expand Down Expand Up @@ -124,17 +124,17 @@ def _eT_zhz_einsum_electronic_components_lhs(t_list, dT, z_right, b_loop_flag=Fa
return electronic_components

# otherwise
else: # pragma: vectorize_b_loop
else: # pragma: vectorize_b_loop
# for each t term add 1 electronic label
electronic_components += ['a', ] * len(t_list)
electronic_components += ['a', ] * len(t_list)

# the dT term has 1 electronic components
electronic_components.append('a')
electronic_components.append('a')

# we assume Z always contributes
electronic_components.append('c')
electronic_components.append('c')

return electronic_components
return electronic_components
# ----------------------------------------------------------------------------------------------- #
# handle all the vibrational einsum string component

Expand Down Expand Up @@ -443,18 +443,18 @@ def _simplify_eT_zhz_python_prefactor(numerator_list, denominator_list):

# count number of appearances
numerator_dict = dict([(key, 0) for key in numerator_set])
for string in numerator_list:
for string in numerator_list:
numerator_dict[string] += 1

log.debug('nnnn', numerator_dict)
log.debug('nnnn', numerator_dict)

denominator_dict = dict([(key, 0) for key in denominator_set])
for string in denominator_list:
denominator_dict = dict([(key, 0) for key in denominator_set])
for string in denominator_list:
denominator_dict[string] += 1

log.debug('dddd', denominator_dict)
log.debug('dddd', denominator_dict)
# loop over each unique prefactor
for key in intersection:
for key in intersection:
a, b = numerator_dict[key], denominator_dict[key]
if a > b:
denominator_dict[key] = 0
Expand All @@ -467,11 +467,11 @@ def _simplify_eT_zhz_python_prefactor(numerator_list, denominator_list):
numerator_dict[key] = 0

# make updated lists
new_numerator_list, new_denominator_list = [], []
new_numerator_list, new_denominator_list = [], []

for k, v in numerator_dict.items():
for k, v in numerator_dict.items():
new_numerator_list.extend([k, ]*v)
for k, v in denominator_dict.items():
for k, v in denominator_dict.items():
new_denominator_list.extend([k, ]*v)

new_numerator_list.sort()
Expand Down

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