From f8cdc1d1ce417eacccbda9fc6f17b8c8576c342c Mon Sep 17 00:00:00 2001 From: Neil Raymond Date: Wed, 29 Jun 2022 12:15:41 -0400 Subject: [PATCH] Fix - remove extra spaces --- termfactory/code_eT_zhz.py | 36 ++++++++++++++++++------------------ 1 file changed, 18 insertions(+), 18 deletions(-) diff --git a/termfactory/code_eT_zhz.py b/termfactory/code_eT_zhz.py index 8a1c7d3..6e480e4 100644 --- a/termfactory/code_eT_zhz.py +++ b/termfactory/code_eT_zhz.py @@ -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): @@ -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 @@ -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 @@ -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()