From 897dbe9b9b232f36705efe9d708d466b4b63d855 Mon Sep 17 00:00:00 2001 From: Bert de Jong Date: Mon, 7 Apr 2003 21:14:27 +0000 Subject: [PATCH] Updated with ccsd(t) bug fixes info. --- release.notes.4.5 | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/release.notes.4.5 b/release.notes.4.5 index 8968220c22..2e57ccc690 100644 --- a/release.notes.4.5 +++ b/release.notes.4.5 @@ -110,6 +110,13 @@ MP2: o 64-bit platforms: removed 2GB file limit (this will drastically reduce the number of passes) +CSD(T): + + o BUG FIX: Triples energies were wrong for systems with higher than + abelian symmetry. This is now handled correctly. + o BUG FIX: Linear dependency was ignored in triples mo symmetry + transformation. Now, only nbf-# lin. dep. functions are used. + Hessian and Frequencies: o Analytic hessian calculation with ECP basis sets can now performed