From 7ee34f3c9ff86e5475c54ccea3873ae2e1464d25 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 2 Feb 2018 21:23:33 +0100 Subject: [PATCH] Optimized hash --- Basis/TwoElectronRR.ml | 4 +--- Basis/TwoElectronRRVectorized.ml | 8 ++------ 2 files changed, 3 insertions(+), 9 deletions(-) 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