From ab177d957d94aa3792d334c6bbb8ebf9f10d1cd8 Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Mon, 18 Sep 2023 02:59:25 -0700 Subject: [PATCH] Release 6.0.0 --- ChangeLog | 8 ++++---- README.md | 2 +- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/ChangeLog b/ChangeLog index 20954d6..88d363f 100644 --- a/ChangeLog +++ b/ChangeLog @@ -1,11 +1,11 @@ Version 6.0.0 (2023-09-17): - * Fix memory leak issue in int4c1e - * Add polynomial root finder with eigenvalue algorithm + * Add polynomial root finder using the eigenvalue algorithm * Fitting Rys roots of SR integrals with Chebyshev polynomials - * New integrals related to LRESC + * Remove GTG integrals which are erroneous in previous versions + * Remove coulerf integrals which has been covered by regular int2e functions Version 5.5.0 (2023-09-17): - * Supports Gaussian charge model for int1e_grids + * Supports Gaussian model for int1e_grids Version 5.4.0 (2023-07-04): * Add constant PTR_FRAC_CHARGE for QM/MM interface in pyscf diff --git a/README.md b/README.md index 0d8b7ab..43b652b 100644 --- a/README.md +++ b/README.md @@ -3,7 +3,7 @@ qcint (quick libcint) An optimized libcint branch for X86 platform -version 5.5.0 +version 6.0.0 2023-09-17