Ruiyi Zhou's repositories
i-pi-pyscf
interface of i-pi and pyscf
abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
Language:C++LGPL-3.0000
fewest-switch-surface-hopping
John Tully's fewest switch surface hopping algorithm
Language:MathematicaMIT000
QPARC-Challenge-2022
Ruiyi's Qamuy Challenge 2022 input
RealtimePySCF
Realtime Extensions to PySCF (TDDFT etc.)
Language:C++000