From b086f8bf080fd4e7804c52089ea8078a2f504d05 Mon Sep 17 00:00:00 2001 From: Kenneth Dyall Date: Tue, 2 May 2000 20:05:59 +0000 Subject: [PATCH] *** empty log message *** --- release.notes.4.0 | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/release.notes.4.0 b/release.notes.4.0 index de36660535..365b3f01dd 100644 --- a/release.notes.4.0 +++ b/release.notes.4.0 @@ -52,8 +52,9 @@ Basis Sets: o Basis set library has been updated to include all new basis sets at the EMSL Gaussian Basis Set Order Form page of David Feller (http://www.emsl.pnl.gov:2080/forms/basisform.html) - o Relativistic contractions of the cc-pvnz, n = 2--5, basis sets for the Douglas-Kroll - and DmD approximations. + o Relativistic contractions of the cc-pvnz, n = 2--5, basis sets for the + Douglas-Kroll and DmD approximations. + o Dyall double-zeta basis sets for the 4p, 5p and 6p elements added Geometry: @@ -107,6 +108,8 @@ Integral changes: o Douglas-Kroll(-Hess) integral routines have been added. o Relativistic one- and two-electron integral routines for the DmD approach have been added. + o General contraction and multipassing have been implemented for the + Mc-Murchie-Davidson 2e integrals. Tests, manuals and misc script changes: