From 224adaf42b0609dec0450f4c84e1eb41fa0bb7c3 Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Tue, 4 Jul 2023 08:44:03 -0700 Subject: [PATCH] Release v5.4.0 --- CMakeLists.txt | 2 +- ChangeLog | 3 +++ README.md | 4 ++-- 3 files changed, 6 insertions(+), 3 deletions(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index 619cfdf..fb5b7f7 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -1,7 +1,7 @@ cmake_minimum_required (VERSION 3.5) project (qcint C) set(qcint_VERSION_MAJOR "5") -set(qcint_VERSION_MINOR "3") +set(qcint_VERSION_MINOR "4") set(qcint_VERSION_PATCH "0") set(qcint_VERSION_TWEAK "0") set(qcint_VERSION "${qcint_VERSION_MAJOR}.${qcint_VERSION_MINOR}.${qcint_VERSION_PATCH}") diff --git a/ChangeLog b/ChangeLog index 79b3aac..c997856 100644 --- a/ChangeLog +++ b/ChangeLog @@ -1,3 +1,6 @@ +Version 5.4.0 (2023-07-04): + * Add constant PTR_FRAC_CHARGE for QM/MM interface in pyscf + Version 5.3.0 (2023-03-28): * Improves rys-roots numerical stability in the near-zero limit diff --git a/README.md b/README.md index cf3e049..d1e1f3e 100644 --- a/README.md +++ b/README.md @@ -3,8 +3,8 @@ qcint (quick libcint) An optimized libcint branch for X86 platform -version 5.3.0 -2023-03-28 +version 5.4.0 +2023-07-04 What is qcint