Physfock

This script does not work under F37 and polaris cards. How to resolve this problem? I need opencl. The clinfo works but with “null devices” error in the end of...

Error during installation...

1

There is an error during installation in Fedora 40 In file included from /usr/include/boost/preprocessor/arithmetic/add.hpp:59, from /usr/include/boost/preprocessor/arithmetic.hpp:17, from /usr/include/boost/preprocessor/library.hpp:16, from /usr/include/boost/preprocessor.hpp:17, from /usr/include/libint2/engine.impl.h:35, from /usr/include/libint2/engine.h:988, from /usr/include/libint2/cxxapi.h:41, from /usr/include/libint2.hpp:24, from Libint2Iface.h:14,...

This code (I run it inside docker): from __future__ import division import math import sys import numpy as np import gqcpy from pyscf import gto, scf, ao2mo print() np.set_printoptions(precision=4, linewidth=600)...

Can't make hartree fock with cc-pvtz basis set

How to print spin_orbital_basis.quantize(gqcpy.CoulombRepulsionOperator()) for UHF reference?

I cant understand the following: In PySCF Hartree-Fock for eigenvalue problem FC = e SC I can find F, C, S and MO energies e. In GQPC for large basis...

## Общая информация * **версия Home Assistant**: 2025.3.4 * **способ установки Home Assistant**: [ ] venv [ ] Docker [x ] Home Assistant OS * **версия компонента**: 4.1.9 * **модель...