V0.8.1 (#174)

* be compatible with pyscf 2.6

* delete csv files

* .gitignore

* verbose = 6

* remove dftd4 and dftd3

* suport DFT APIs in PySCF 2.6

* added one more smoke test

* dependencies for unit test

* updated benchmark script

* flake8

* updated recent benchmark data

* flake8

* improve the robustness of CPHF

* improve the robustness

* correct the comment in solve_mo1

* flake8

* fixed a bug in transpose_sum

* updated benchmark data

* support wb97m-d3bj

* ruff

* unit test

* keep auxmol in reset

* remove duplicated code

* release v0.8.1

gpu4pyscf/__init__.py

@@ -1,6 +1,6 @@
 from . import lib, grad, hessian, solvent, scf, dft
 
-__version__ = '0.8.0'
+__version__ = '0.8.1'
 
 # monkey patch libxc reference due to a bug in nvcc
 from pyscf.dft import libxc