From bda6d41a00407c32202200957554e4cffa7d310a Mon Sep 17 00:00:00 2001 From: Xiaojie Wu Date: Tue, 23 Jul 2024 00:07:34 -0700 Subject: [PATCH] release v1.0 (#186) --- gpu4pyscf/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/gpu4pyscf/__init__.py b/gpu4pyscf/__init__.py index 09f5fb82..5a814d0f 100644 --- a/gpu4pyscf/__init__.py +++ b/gpu4pyscf/__init__.py @@ -1,6 +1,6 @@ from . import lib, grad, hessian, solvent, scf, dft -__version__ = '0.8.2' +__version__ = '1.0' # monkey patch libxc reference due to a bug in nvcc from pyscf.dft import libxc