diff --git a/Basis/TwoElectronRR.ml b/Basis/TwoElectronRR.ml index 5a564d8..defbd5b 100644 --- a/Basis/TwoElectronRR.ml +++ b/Basis/TwoElectronRR.ml @@ -352,9 +352,7 @@ let contracted_class_shell_pairs ~zero_m ?schwartz_p ?schwartz_q shell_p shell_q in let zero_m_array = - let key = String.concat " " - [ string_of_int maxm ; string_of_float expo_pq_inv ; string_of_float norm_pq_sq ] - in + let key = (maxm, expo_pq_inv, norm_pq_sq) in try let result = Hashtbl.find zero_m_cache key diff --git a/Basis/TwoElectronRRVectorized.ml b/Basis/TwoElectronRRVectorized.ml index 0ad0df0..48e62af 100644 --- a/Basis/TwoElectronRRVectorized.ml +++ b/Basis/TwoElectronRRVectorized.ml @@ -338,9 +338,7 @@ let contracted_class_shell_pairs ~zero_m ?schwartz_p ?schwartz_q shell_p shell_q in let zero_m_array = - let key = String.concat " " - [ string_of_int 0 ; string_of_float expo_pq_inv ; string_of_float norm_pq_sq ] - in + let key = (0, expo_pq_inv, norm_pq_sq) in try let result = Hashtbl.find zero_m_cache key @@ -379,9 +377,7 @@ let contracted_class_shell_pairs ~zero_m ?schwartz_p ?schwartz_q shell_p shell_q in let zero_m_array = - let key = String.concat " " - [ string_of_int maxm ; string_of_float expo_pq_inv ; string_of_float norm_pq_sq ] - in + let key = (maxm, expo_pq_inv, norm_pq_sq) in try let result = Hashtbl.find zero_m_cache key